2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide

C23H27N3OS — CID 53365539

IUPAC2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NC(C)CCc3ccccc3)s2)c(C)c1
InChIInChI=1S/C23H27N3OS/c1-15-10-13-20(16(2)14-15)26-23-25-18(4)21(28-23)22(27)24-17(3)11-12-19-8-6-5-7-9-19/h5-10,13-14,17H,11-12H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyJNIMQGCDWWRFEM-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.56
Rot. Bonds7

About 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53365539) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID53365539
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NC(C)CCc3ccccc3)s2)c(C)c1
InChIInChI=1S/C23H27N3OS/c1-15-10-13-20(16(2)14-15)26-23-25-18(4)21(28-23)22(27)24-17(3)11-12-19-8-6-5-7-9-19/h5-10,13-14,17H,11-12H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyJNIMQGCDWWRFEM-UHFFFAOYSA-N
XLogP5.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-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

Related Compounds

2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
CID 53365550
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone
CID 168770997
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 53365539) is 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(Nc2nc(C)c(C(=O)NC(C)CCc3ccccc3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JNIMQGCDWWRFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-15-10-13-20(16(2)14-15)26-23-25-18(4)21(28-23)22(27)24-17(3)11-12-19-8-6-5-7-9-19/h5-10,13-14,17H,11-12H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).