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

C16H11ClN2OS — CID 67321630

IUPAC2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2OS/c17-14-4-2-1-3-13(14)16(20)19-12-7-5-11(6-8-12)15-9-21-10-18-15/h1-10H,(H,19,20)
InChIKeyWKHLBGOPHQREIJ-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 67321630) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID67321630
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2OS/c17-14-4-2-1-3-13(14)16(20)19-12-7-5-11(6-8-12)15-9-21-10-18-15/h1-10H,(H,19,20)
InChIKeyWKHLBGOPHQREIJ-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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
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2-chloro-N-[4-(4-phenyl-2-pyridinyl)phenyl]benzamide
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2-chloro-N-(4-sulfanylphenyl)benzamide
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N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
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2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
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N-phenyl-1,3-thiazole-4-carboxamide
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1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
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N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
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2-chloro-N-[3-[(E)-3-oxo-3-(1,3-thiazol-4-yl)prop-1-enyl]phenyl]benzamide
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CID 110461625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide (CID 67321630) is 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cscn2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is WKHLBGOPHQREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-14-4-2-1-3-13(14)16(20)19-12-7-5-11(6-8-12)15-9-21-10-18-15/h1-10H,(H,19,20).
What are the key properties of 2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide?
2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]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-(1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 67321630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).