3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

C25H22N2OS — CID 108747881

IUPAC3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1C
InChIInChI=1S/C25H22N2OS/c1-16-9-10-21(15-17(16)2)24(28)26-22-13-11-19(12-14-22)23-18(3)29-25(27-23)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28)
InChIKeyHKJYWYKNIXMGPI-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.65
Rot. Bonds4

About 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108747881) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108747881
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC Name3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1C
InChIInChI=1S/C25H22N2OS/c1-16-9-10-21(15-17(16)2)24(28)26-22-13-11-19(12-14-22)23-18(3)29-25(27-23)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28)
InChIKeyHKJYWYKNIXMGPI-UHFFFAOYSA-N
XLogP6.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 108747866
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108811606

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108747881) is 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is HKJYWYKNIXMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-16-9-10-21(15-17(16)2)24(28)26-22-13-11-19(12-14-22)23-18(3)29-25(27-23)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28).
What are the key properties of 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 398.53 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108747881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).