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

C16H11ClN2OS — CID 697415

IUPAC4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyZLQJUNKKCMQVHA-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 697415) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID697415
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyZLQJUNKKCMQVHA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 697415) is 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZLQJUNKKCMQVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20).
What are the key properties of 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-chloro-N-(4-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 4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 697415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).