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

C9H6ClN3OS — CID 2084466

IUPAC6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-6(5-12-7)8(14)13-9-11-3-4-15-9/h1-5H,(H,11,13,14)
InChIKeyXZDLQEKOMAGVDT-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

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

6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2084466) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID2084466
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)nc1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-6(5-12-7)8(14)13-9-11-3-4-15-9/h1-5H,(H,11,13,14)
InChIKeyXZDLQEKOMAGVDT-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

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
5-chloro-N-(4-(pyridin-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3561768
N-(2-aminoethyl)-5-{2-[(3-chloropyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinamide
CID 57867490
N-(5-methyl-1,3-thiazol-2-yl)isonicotinamide
CID 1245805
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2102471
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]nicotinamide
CID 1221234
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 2084466) is 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is XZDLQEKOMAGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-7-2-1-6(5-12-7)8(14)13-9-11-3-4-15-9/h1-5H,(H,11,13,14).
What are the key properties of 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2084466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).