3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide

C17H22N2OS — CID 78774445

IUPAC3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C17H22N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyBESXFVOXABAYNX-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.02
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide

3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide (PubChem CID 78774445) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
PubChem CID78774445
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C17H22N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyBESXFVOXABAYNX-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134004172
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylprop-2-enamide
CID 76857537
2-(1,3-benzothiazol-2-yl)ethyl cyclohexanecarboxylate
CID 78823092
4-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide
CID 33078927
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 52514044
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8906725
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide (CID 78774445) is 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCc1nc2ccccc2s1)C1CCCCC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is BESXFVOXABAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(13-7-3-2-4-8-13)17(20)12-11-16-18-14-9-5-6-10-15(14)21-16/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 78774445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).