3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide

C18H24N2OS — CID 134004172

IUPAC3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1N(C)C(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C18H24N2OS/c1-13-7-3-5-9-15(13)20(2)18(21)12-11-17-19-14-8-4-6-10-16(14)22-17/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3
InChIKeyANVDKKLETLPEGE-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.27
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide (PubChem CID 134004172) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide
PubChem CID134004172
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1N(C)C(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C18H24N2OS/c1-13-7-3-5-9-15(13)20(2)18(21)12-11-17-19-14-8-4-6-10-16(14)22-17/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3
InChIKeyANVDKKLETLPEGE-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8906725
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8802357
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 52514044
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
3-(1,3-benzothiazol-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27660934
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 71983420

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide (CID 134004172) is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1N(C)C(=O)CCc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The InChIKey is ANVDKKLETLPEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-7-3-5-9-15(13)20(2)18(21)12-11-17-19-14-8-4-6-10-16(14)22-17/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide has a molecular weight of 316.47 g/mol, XLogP of 4.27, 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-methyl-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 134004172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).