N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide

C17H22N2OS — CID 43003046

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H22N2OS/c20-16(11-10-13-6-2-1-3-7-13)18-12-17-19-14-8-4-5-9-15(14)21-17/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyUGOYLUYXIKYGFH-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.27
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide

N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide (PubChem CID 43003046) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
PubChem CID43003046
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H22N2OS/c20-16(11-10-13-6-2-1-3-7-13)18-12-17-19-14-8-4-5-9-15(14)21-17/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyUGOYLUYXIKYGFH-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-2-ylmethyl 3-cyclohexylpropanoate
CID 2397721
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 38285048
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 24543254
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
N-(1,3-benzothiazol-2-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide (CID 43003046) is N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide?
The InChIKey is UGOYLUYXIKYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-16(11-10-13-6-2-1-3-7-13)18-12-17-19-14-8-4-5-9-15(14)21-17/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 4.27, 5 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-ylmethyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 43003046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).