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

C15H10BrN3OS — CID 66462496

IUPAC6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)nc1
InChIInChI=1S/C15H10BrN3OS/c16-13-5-4-11(9-18-13)14(20)19-12-3-1-2-10(8-12)15-17-6-7-21-15/h1-9H,(H,19,20)
InChIKeyWASCPFCNWGAHBE-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide

6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 66462496) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID66462496
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)nc1
InChIInChI=1S/C15H10BrN3OS/c16-13-5-4-11(9-18-13)14(20)19-12-3-1-2-10(8-12)15-17-6-7-21-15/h1-9H,(H,19,20)
InChIKeyWASCPFCNWGAHBE-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.22
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

5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 67379971
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
CID 110372177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 66462496) is 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is WASCPFCNWGAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-13-5-4-11(9-18-13)14(20)19-12-3-1-2-10(8-12)15-17-6-7-21-15/h1-9H,(H,19,20).
What are the key properties of 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).