N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

C18H13N3OS — CID 721661

IUPACN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1
InChIInChI=1S/C18H13N3OS/c1-12-2-6-15(7-3-12)17(22)21-18-20-16(11-23-18)14-8-4-13(10-19)5-9-14/h2-9,11H,1H3,(H,20,21,22)
InChIKeyKRNWTHJQUBDIRP-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.24
Rot. Bonds3

About N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 721661) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID721661
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1
InChIInChI=1S/C18H13N3OS/c1-12-2-6-15(7-3-12)17(22)21-18-20-16(11-23-18)14-8-4-13(10-19)5-9-14/h2-9,11H,1H3,(H,20,21,22)
InChIKeyKRNWTHJQUBDIRP-UHFFFAOYSA-N
XLogP4.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethene-1,1,2-tricarbonitrile
CID 10446997

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (CID 721661) is N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is KRNWTHJQUBDIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-2-6-15(7-3-12)17(22)21-18-20-16(11-23-18)14-8-4-13(10-19)5-9-14/h2-9,11H,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 319.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 721661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).