2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide

C15H10ClN3OS — CID 61040465

IUPAC2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccnc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-13-12(5-2-6-17-13)14(20)19-11-4-1-3-10(9-11)15-18-7-8-21-15/h1-9H,(H,19,20)
InChIKeyAXIGZCCKOGLJDM-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide

2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 61040465) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID61040465
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccnc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-13-12(5-2-6-17-13)14(20)19-11-4-1-3-10(9-11)15-18-7-8-21-15/h1-9H,(H,19,20)
InChIKeyAXIGZCCKOGLJDM-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.11
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

2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55990597
2-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 61041502
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47068259
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 61040465) is 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is AXIGZCCKOGLJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-13-12(5-2-6-17-13)14(20)19-11-4-1-3-10(9-11)15-18-7-8-21-15/h1-9H,(H,19,20).
What are the key properties of 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 315.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 61040465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).