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

C19H18N2OS — CID 868794

IUPAC3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1C
InChIInChI=1S/C19H18N2OS/c1-12-9-10-16(11-13(12)2)18(22)21-19-20-17(14(3)23-19)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyMUQWIMJZNQLVQF-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.99
Rot. Bonds3

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

3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 868794) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID868794
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1C
InChIInChI=1S/C19H18N2OS/c1-12-9-10-16(11-13(12)2)18(22)21-19-20-17(14(3)23-19)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyMUQWIMJZNQLVQF-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide
CID 155228953
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 19195269
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 59318113

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (CID 868794) is 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MUQWIMJZNQLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-9-10-16(11-13(12)2)18(22)21-19-20-17(14(3)23-19)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 868794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).