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

C23H15N3OS — CID 7948158

IUPAC3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H15N3OS/c24-14-16-5-4-8-20(13-16)22(27)26-23-25-21(15-28-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-13,15H,(H,25,26,27)
InChIKeyQSXWKSHKOGXXKZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.60
Rot. Bonds4

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

3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 7948158) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID7948158
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H15N3OS/c24-14-16-5-4-8-20(13-16)22(27)26-23-25-21(15-28-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-13,15H,(H,25,26,27)
InChIKeyQSXWKSHKOGXXKZ-UHFFFAOYSA-N
XLogP5.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (CID 7948158) is 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1.
What is the InChIKey of 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is QSXWKSHKOGXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS/c24-14-16-5-4-8-20(13-16)22(27)26-23-25-21(15-28-23)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-13,15H,(H,25,26,27).
What are the key properties of 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7948158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).