N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide

C22H24N2O3S — CID 24672160

IUPACN-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-4-5-14-24(16-10-7-6-8-11-16)22(25)18-15-28-21(23-18)17-12-9-13-19(26-2)20(17)27-3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyWDOFOEGGPRZGJE-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.27
Rot. Bonds8

About N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide

N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 24672160) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID24672160
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-4-5-14-24(16-10-7-6-8-11-16)22(25)18-15-28-21(23-18)17-12-9-13-19(26-2)20(17)27-3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyWDOFOEGGPRZGJE-UHFFFAOYSA-N
XLogP5.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-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

Related Compounds

N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 37271822
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
CID 64584654
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide (CID 24672160) is N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide is CCCCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1.
What is the InChIKey of N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WDOFOEGGPRZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-5-14-24(16-10-7-6-8-11-16)22(25)18-15-28-21(23-18)17-12-9-13-19(26-2)20(17)27-3/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).