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

C16H11ClN2OS — CID 40596964

IUPACN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyVWILRBUOJHZXLD-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 40596964) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID40596964
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyVWILRBUOJHZXLD-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-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide (CID 40596964) is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1.
What is the InChIKey of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VWILRBUOJHZXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20).
What are the key properties of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
N-[4-(3-chlorophenyl)-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 N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 40596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).