3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide

C15H18N2OS — CID 9215184

IUPAC3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
SMILESO=C(CCc1nc2ccccc2s1)NC1CCCC1
InChIInChI=1S/C15H18N2OS/c18-14(16-11-5-1-2-6-11)9-10-15-17-12-7-3-4-8-13(12)19-15/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyNUQWBYCQUYDCCE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.29
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide

3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide (PubChem CID 9215184) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
PubChem CID9215184
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
SMILESO=C(CCc1nc2ccccc2s1)NC1CCCC1
InChIInChI=1S/C15H18N2OS/c18-14(16-11-5-1-2-6-11)9-10-15-17-12-7-3-4-8-13(12)19-15/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyNUQWBYCQUYDCCE-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1,3-benzothiazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 163306556
3-(1,3-benzothiazol-2-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51930213
3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502240
N-(4-aminocyclohexyl)-4-(1,3-benzothiazol-2-yl)butanamide;dihydrochloride
CID 119478669
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7846965
3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 8590097
3-(1,3-benzothiazol-2-yl)-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 17440094
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895974
ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 31843835
3-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]propanamide
CID 91922601
N-(1-adamantyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 24679536

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide (CID 9215184) is 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide is O=C(CCc1nc2ccccc2s1)NC1CCCC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide?
The InChIKey is NUQWBYCQUYDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14(16-11-5-1-2-6-11)9-10-15-17-12-7-3-4-8-13(12)19-15/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide?
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 9215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).