2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide

C9H5BrClN3OS — CID 91205174

IUPAC2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C9H5BrClN3OS/c10-4-1-5(11)7(13-2-4)9-14-6(3-16-9)8(12)15/h1-3H,(H2,12,15)
InChIKeyWJOLKDCJJNULLM-UHFFFAOYSA-N
MW318.58 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide

2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 91205174) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID91205174
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC Name2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C9H5BrClN3OS/c10-4-1-5(11)7(13-2-4)9-14-6(3-16-9)8(12)15/h1-3H,(H2,12,15)
InChIKeyWJOLKDCJJNULLM-UHFFFAOYSA-N
XLogP2.72
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79780905
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 138377814
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 67515702
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
methyl 2-(5-bromo-3-chloro-2-pyridinyl)-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 122663374
methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 113393847
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 91205174) is 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2ncc(Br)cc2Cl)n1.
What is the InChIKey of 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WJOLKDCJJNULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-4-1-5(11)7(13-2-4)9-14-6(3-16-9)8(12)15/h1-3H,(H2,12,15).
What are the key properties of 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.58 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91205174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).