N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide

C19H19N3OS — CID 5140917

IUPACN-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3ccccc3)cs2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-19-22-17(12-24-19)18(23)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYGQYNHMPUVTHCC-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide

N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 5140917) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
PubChem CID5140917
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3ccccc3)cs2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-19-22-17(12-24-19)18(23)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYGQYNHMPUVTHCC-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(3,4-dimethylanilino)-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-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
CID 50830718
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 117083706
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide (CID 5140917) is N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCc3ccccc3)cs2)cc1C.
What is the InChIKey of N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is YGQYNHMPUVTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-19-22-17(12-24-19)18(23)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5140917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).