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

C16H11ClN2OS — CID 853310

IUPAC2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChIKeyFXJFKYBQUTVGOL-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 853310) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID853310
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChIKeyFXJFKYBQUTVGOL-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

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 599553
3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 697363
4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(1,3-Benzothiazol-2-YL)-2,4-dichlorobenzamide
CID 739902
2-Cinnamamido-4-phenylthiazole
CID 690181

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 853310) is 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FXJFKYBQUTVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20).
What are the key properties of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-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 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 853310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).