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

C9H6BrN3OS — CID 164646931

IUPAC2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(Br)n1
InChIInChI=1S/C9H6BrN3OS/c10-9-12-6(5-15-9)8(14)13-7-3-1-2-4-11-7/h1-5H,(H,11,13,14)
InChIKeyWVVMFUWQVWQVSY-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.55
Rot. Bonds2

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

2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 164646931) has the molecular formula C9H6BrN3OS and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID164646931
Molecular FormulaC9H6BrN3OS
Molecular Weight284.14 g/mol
Exact Mass282.94
IUPAC Name2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(Br)n1
InChIInChI=1S/C9H6BrN3OS/c10-9-12-6(5-15-9)8(14)13-7-3-1-2-4-11-7/h1-5H,(H,11,13,14)
InChIKeyWVVMFUWQVWQVSY-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-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
CID 25343632
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 143316334
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509919
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
2-[(1S)-1-(cyclopropanecarbonylamino)-2-phenylethyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 171915344

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 164646931) is 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccn1)c1csc(Br)n1.
What is the InChIKey of 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WVVMFUWQVWQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS/c10-9-12-6(5-15-9)8(14)13-7-3-1-2-4-11-7/h1-5H,(H,11,13,14).
What are the key properties of 2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
2-bromo-N-pyridin-2-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-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164646931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).