6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide

C9H6ClN3OS — CID 164656939

IUPAC6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnsc1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3OS/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeyMUKXMLNLMLAAKR-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

About 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide

6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide (PubChem CID 164656939) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide
PubChem CID164656939
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnsc1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3OS/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeyMUKXMLNLMLAAKR-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62415435
2-amino-6-chloro-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 154842220
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide (CID 164656939) is 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cnsc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide?
The InChIKey is MUKXMLNLMLAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-8-2-1-6(3-11-8)9(14)13-7-4-12-15-5-7/h1-5H,(H,13,14).
What are the key properties of 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide?
6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2-thiazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164656939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).