3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C15H10BrN3OS — CID 4126703

IUPAC3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Br)c1
InChIInChI=1S/C15H10BrN3OS/c16-11-5-3-4-10(8-11)14(20)19-15-18-13(9-21-15)12-6-1-2-7-17-12/h1-9H,(H,18,19,20)
InChIKeyPEFJTICUJPTCOO-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4126703) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4126703
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Br)c1
InChIInChI=1S/C15H10BrN3OS/c16-11-5-3-4-10(8-11)14(20)19-15-18-13(9-21-15)12-6-1-2-7-17-12/h1-9H,(H,18,19,20)
InChIKeyPEFJTICUJPTCOO-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

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-(4-bromophenyl)thiazol-2-yl)nicotinamide
CID 1114484
5-bromo-N-(4-(pyridin-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
1-(4-{[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 972912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4126703) is 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PEFJTICUJPTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-11-5-3-4-10(8-11)14(20)19-15-18-13(9-21-15)12-6-1-2-7-17-12/h1-9H,(H,18,19,20).
What are the key properties of 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide 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 3-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).