N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

C15H18N2O2S — CID 739502

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyLLYWXSGKKWFVTG-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.82
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (PubChem CID 739502) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
PubChem CID739502
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18)
InChIKeyLLYWXSGKKWFVTG-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-1,3-benzothiazol-2-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-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-[(2S)-1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42185894
N-[(2R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42185897
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 23790802
trans-(1S,2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6974913
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 30706906
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 21168405
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (CID 739502) is N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is COc1ccc2nc(NC(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is LLYWXSGKKWFVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-11-7-8-12-13(9-11)20-15(16-12)17-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).