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

C23H14ClN3OS — CID 108748379

IUPACN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)c1
InChIInChI=1S/C23H14ClN3OS/c24-20-10-2-1-9-19(20)23-27-21(14-29-23)16-6-4-8-18(12-16)26-22(28)17-7-3-5-15(11-17)13-25/h1-12,14H,(H,26,28)
InChIKeyMQTROHOUYJWILW-UHFFFAOYSA-N
MW415.91 g/mol
LogP6.25
Rot. Bonds4

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

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide (PubChem CID 108748379) has the molecular formula C23H14ClN3OS and a molecular weight of 415.91 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
PubChem CID108748379
Molecular FormulaC23H14ClN3OS
Molecular Weight415.91 g/mol
Exact Mass415.05
IUPAC NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)c1
InChIInChI=1S/C23H14ClN3OS/c24-20-10-2-1-9-19(20)23-27-21(14-29-23)16-6-4-8-18(12-16)26-22(28)17-7-3-5-15(11-17)13-25/h1-12,14H,(H,26,28)
InChIKeyMQTROHOUYJWILW-UHFFFAOYSA-N
XLogP6.25
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.91
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108809085
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide (CID 108748379) is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4Cl)n3)c2)c1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide?
The InChIKey is MQTROHOUYJWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3OS/c24-20-10-2-1-9-19(20)23-27-21(14-29-23)16-6-4-8-18(12-16)26-22(28)17-7-3-5-15(11-17)13-25/h1-12,14H,(H,26,28).
What are the key properties of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide?
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide has a molecular weight of 415.91 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide is sourced from PubChem (CID 108748379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).