HM4

TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE

Created:	2006-11-09
Last modified:	2011-06-04

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1 entries where HM4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	11

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Chemical Component Summary
Name	TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
Systematic Name (OpenEye OEToolkits)	tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate
Formula	C₁₄ H₁₆ N₄ O₃ S
Molecular Weight	320.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2
SMILES	CACTVS	3.341	CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2sccn2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2
Canonical SMILES	CACTVS	3.341	CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2sccn2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2
InChI	InChI	1.03	InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKey	InChI	1.03	QBMYJIFXSXKPFS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07902
Name	TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
Groups	experimental
Synonyms	TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methionine aminopeptidase 1	MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682