2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H18N2O2S — CID 3428654

IUPAC2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyNJKXKQBBRSNLTF-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.67
Rot. Bonds6

About 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3428654) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID3428654
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyNJKXKQBBRSNLTF-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 3428654) is 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NJKXKQBBRSNLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)12-20-19(22)17-13-24-18(21-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3428654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).