N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

C17H21N3O2S — CID 1160464

IUPACN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyYJBCAMXPYLKZLC-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.08
Rot. Bonds3

About N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (PubChem CID 1160464) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
PubChem CID1160464
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyYJBCAMXPYLKZLC-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide 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-Benzothiazolylbenzeneacetamide
CID 591403
Cyclohexanecarboxamide, N-(6-nitro-2-benzothiazolyl)-
CID 739510
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-Aminobenzo[d]thiazol-2-yl)cyclohexanecarboxamide
CID 834590
Nvp 231
CID 4096211
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 889037
N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 836586
N-[6-(acetylamino)-4-methylbenzothiazol-2-yl]acetamide
CID 1160466
N-(4,6-difluorobenzo[d]thiazol-2-yl)-3-phenylpropanamide
CID 2409677
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 3284375
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 3491790
2-[3-(1,1-Dimethyl-propyl)-ureido]-benzothiazole-6-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 22634145

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (CID 1160464) is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is CC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1.
What is the InChIKey of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The InChIKey is YJBCAMXPYLKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 1160464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).