N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H17N3O3S — CID 24985101

IUPACN-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccn(-c2nc(C)c(C(=O)NCc3ccccc3)s2)c(=O)c1
InChIInChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyQNEITNWZOMGSRC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.54
Rot. Bonds5

About N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24985101) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24985101
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccn(-c2nc(C)c(C(=O)NCc3ccccc3)s2)c(=O)c1
InChIInChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyQNEITNWZOMGSRC-UHFFFAOYSA-N
XLogP2.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-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 N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24985101) is N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccn(-c2nc(C)c(C(=O)NCc3ccccc3)s2)c(=O)c1.
What is the InChIKey of N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QNEITNWZOMGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24985101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).