N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C17H20N2OS — CID 113202936

IUPACN-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCc1ccc(NC(=O)C2CCc3nc(C)sc3C2)cc1
InChIInChI=1S/C17H20N2OS/c1-3-12-4-7-14(8-5-12)19-17(20)13-6-9-15-16(10-13)21-11(2)18-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyVCHOGFOFNHMANY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.76
Rot. Bonds3

About N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113202936) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113202936
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCc1ccc(NC(=O)C2CCc3nc(C)sc3C2)cc1
InChIInChI=1S/C17H20N2OS/c1-3-12-4-7-14(8-5-12)19-17(20)13-6-9-15-16(10-13)21-11(2)18-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyVCHOGFOFNHMANY-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-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-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680730
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202979
N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202942
2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680806
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202912
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
N-(3,5-dimethylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203066
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680732
(6S)-2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109312

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113202936) is N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CCc1ccc(NC(=O)C2CCc3nc(C)sc3C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is VCHOGFOFNHMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-12-4-7-14(8-5-12)19-17(20)13-6-9-15-16(10-13)21-11(2)18-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113202936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).