N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide

C19H18N2OS — CID 108737632

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)19(22)20-12-16-13-23-18(21-16)11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyHHIRBYNYDBZGMY-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide (PubChem CID 108737632) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
PubChem CID108737632
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)19(22)20-12-16-13-23-18(21-16)11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyHHIRBYNYDBZGMY-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 108737631
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 108737623
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide (CID 108737632) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide?
The InChIKey is HHIRBYNYDBZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-7-5-6-10-17(14)19(22)20-12-16-13-23-18(21-16)11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 108737632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).