2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide

C9H6BrN3OS — CID 141426406

IUPAC2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1csc(Br)n1
InChIInChI=1S/C9H6BrN3OS/c10-9-13-7(5-15-9)8(14)12-6-2-1-3-11-4-6/h1-5H,(H,12,14)
InChIKeyMGYHJUSXZSMKRN-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.55
Rot. Bonds2

About 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide

2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 141426406) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID141426406
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC Name2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1csc(Br)n1
InChIInChI=1S/C9H6BrN3OS/c10-9-13-7(5-15-9)8(14)12-6-2-1-3-11-4-6/h1-5H,(H,12,14)
InChIKeyMGYHJUSXZSMKRN-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
CID 25237024
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 1487644
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 141426406) is 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cccnc1)c1csc(Br)n1.
What is the InChIKey of 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MGYHJUSXZSMKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c10-9-13-7(5-15-9)8(14)12-6-2-1-3-11-4-6/h1-5H,(H,12,14).
What are the key properties of 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 284.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141426406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).