1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide

C18H24N2OS — CID 43021084

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
SMILESCCCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C18H24N2OS/c1-2-3-12-19-17(21)18(10-6-7-11-18)13-16-20-14-8-4-5-9-15(14)22-16/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,21)
InChIKeyFAOWYPPUKLAWJD-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.32
Rot. Bonds6

About 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide

1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide (PubChem CID 43021084) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
PubChem CID43021084
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
SMILESCCCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C18H24N2OS/c1-2-3-12-19-17(21)18(10-6-7-11-18)13-16-20-14-8-4-5-9-15(14)22-16/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,21)
InChIKeyFAOWYPPUKLAWJD-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 71885629
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 9319098
1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
CID 134063872
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 16565359
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 16559062
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 18280735
1-[[[N-[3-(1,3-benzothiazol-2-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569969
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027224
[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-(4-phenylpiperazin-1-yl)methanone
CID 39954191

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide (CID 43021084) is 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide is CCCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide?
The InChIKey is FAOWYPPUKLAWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-3-12-19-17(21)18(10-6-7-11-18)13-16-20-14-8-4-5-9-15(14)22-16/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,21).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide?
1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide is sourced from PubChem (CID 43021084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).