2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C19H18N2OS — CID 39886571

IUPAC2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H18N2OS/c1-13-7-6-10-16(11-13)21-19(22)18-14(2)20-17(23-18)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWEJYCZSGNXZKOA-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.60
Rot. Bonds4

About 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 39886571) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID39886571
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H18N2OS/c1-13-7-6-10-16(11-13)21-19(22)18-14(2)20-17(23-18)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWEJYCZSGNXZKOA-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 38304433
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 49321700
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55878596

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 39886571) is 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1.
What is the InChIKey of 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WEJYCZSGNXZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-7-6-10-16(11-13)21-19(22)18-14(2)20-17(23-18)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39886571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).