3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

C16H11ClN2OS — CID 58033062

IUPAC3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-10-14(21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyDWDRODOSBJALSV-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

About 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 58033062) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID58033062
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-10-14(21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyDWDRODOSBJALSV-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
CID 86945187
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863879
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 569504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (CID 58033062) is 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DWDRODOSBJALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-10-14(21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20).
What are the key properties of 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 314.80 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 58033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).