2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide

C12H9BrN4OS — CID 86701931

IUPAC2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1cnc(Br)s1
InChIInChI=1S/C12H9BrN4OS/c13-12-16-6-9(19-12)11(18)15-5-8-1-2-10-14-3-4-17(10)7-8/h1-4,6-7H,5H2,(H,15,18)
InChIKeyXLISXJRPUUYFKS-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.48
Rot. Bonds3

About 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide

2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 86701931) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID86701931
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1cnc(Br)s1
InChIInChI=1S/C12H9BrN4OS/c13-12-16-6-9(19-12)11(18)15-5-8-1-2-10-14-3-4-17(10)7-8/h1-4,6-7H,5H2,(H,15,18)
InChIKeyXLISXJRPUUYFKS-UHFFFAOYSA-N
XLogP2.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide
CID 86701928
4-[(3-chlorophenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928346
imidazo[1,2-a]pyridin-6-ylmethanol;hydrochloride
CID 71748611
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735153
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
CID 167312017
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide (CID 86701931) is 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccc2nccn2c1)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XLISXJRPUUYFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c13-12-16-6-9(19-12)11(18)15-5-8-1-2-10-14-3-4-17(10)7-8/h1-4,6-7H,5H2,(H,15,18).
What are the key properties of 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide?
2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 337.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86701931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).