N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide

C15H18N2OS — CID 877267

IUPACN-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3s2)CCCCC1
InChIInChI=1S/C15H18N2OS/c1-15(9-5-2-6-10-15)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyILYAJBLLUANDLZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.21
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 877267) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID877267
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3s2)CCCCC1
InChIInChI=1S/C15H18N2OS/c1-15(9-5-2-6-10-15)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyILYAJBLLUANDLZ-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-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

1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 115452221
N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17464140
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 9193479
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
(3R,5S)-N-(1,3-benzothiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 971289
1-(1,3-benzothiazol-2-yl)-3-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea
CID 129392729

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide (CID 877267) is N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2nc3ccccc3s2)CCCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is ILYAJBLLUANDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(9-5-2-6-10-15)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 877267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).