4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide

C21H21N3O2S — CID 2458921

IUPAC4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccc(C#N)cc1)C1=NC(C)(C)CS1
InChIInChI=1S/C21H21N3O2S/c1-14-5-10-18(26-4)17(11-14)24(20-23-21(2,3)13-27-20)19(25)16-8-6-15(12-22)7-9-16/h5-11H,13H2,1-4H3
InChIKeyOUCSTAJPMIQMGG-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.40
Rot. Bonds3

About 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide

4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 2458921) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID2458921
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccc(C#N)cc1)C1=NC(C)(C)CS1
InChIInChI=1S/C21H21N3O2S/c1-14-5-10-18(26-4)17(11-14)24(20-23-21(2,3)13-27-20)19(25)16-8-6-15(12-22)7-9-16/h5-11H,13H2,1-4H3
InChIKeyOUCSTAJPMIQMGG-UHFFFAOYSA-N
XLogP4.40
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
3-(2-Methoxyphenyl)-2-propylsulfanylquinazolin-4-one
CID 1967844
3-(2-Methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one
CID 134140373
5-Benzyl-6-hydroxy-3-(2-methoxyphenyl)-2-propylsulfanylpyrimidin-4-one
CID 156014837
(Z)-N-(3-(2-methoxyphenyl)-4-oxothiazolidin-2-ylidene)benzamide
CID 1541783
N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135447431
N,N-diethyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1071939
2-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 2357209
N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 2999742
5-Butyl-6-hydroxy-1-(2-methoxyphenyl)-2-phenacylsulfanylpyrimidin-4-one
CID 135408262
4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
CID 2963564
4-[[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 135703511

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 2458921) is 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1N(C(=O)c1ccc(C#N)cc1)C1=NC(C)(C)CS1.
What is the InChIKey of 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is OUCSTAJPMIQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-5-10-18(26-4)17(11-14)24(20-23-21(2,3)13-27-20)19(25)16-8-6-15(12-22)7-9-16/h5-11H,13H2,1-4H3.
What are the key properties of 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 2458921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).