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

C15H10ClN3OS — CID 3534313

IUPAC3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3OS/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)
InChIKeyCXXYOXYJJIVXSW-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

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

3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3534313) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3534313
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3OS/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)
InChIKeyCXXYOXYJJIVXSW-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

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Related Compounds

3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
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-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
2-(2-Aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
CID 76072859
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
(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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 3534313) is 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CXXYOXYJJIVXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/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-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide 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 3-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3534313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).