4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

C20H17N3OS — CID 5198046

IUPAC4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C
InChIInChI=1S/C20H17N3OS/c1-12-8-14(3)17(9-13(12)2)18-11-25-20(22-18)23-19(24)16-6-4-15(10-21)5-7-16/h4-9,11H,1-3H3,(H,22,23,24)
InChIKeyJUFBXLPOXXITSU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.86
Rot. Bonds3

About 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5198046) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID5198046
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C
InChIInChI=1S/C20H17N3OS/c1-12-8-14(3)17(9-13(12)2)18-11-25-20(22-18)23-19(24)16-6-4-15(10-21)5-7-16/h4-9,11H,1-3H3,(H,22,23,24)
InChIKeyJUFBXLPOXXITSU-UHFFFAOYSA-N
XLogP4.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 17471299
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 5198046) is 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1C.
What is the InChIKey of 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JUFBXLPOXXITSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-12-8-14(3)17(9-13(12)2)18-11-25-20(22-18)23-19(24)16-6-4-15(10-21)5-7-16/h4-9,11H,1-3H3,(H,22,23,24).
What are the key properties of 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5198046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).