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

C13H14N2OS — CID 835551

IUPACN-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C13H14N2OS/c16-12(9-5-1-2-6-9)15-13-14-10-7-3-4-8-11(10)17-13/h3-4,7-9H,1-2,5-6H2,(H,14,15,16)
InChIKeyQXKQVHKAOAGNDN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.42
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 835551) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID835551
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C13H14N2OS/c16-12(9-5-1-2-6-9)15-13-14-10-7-3-4-8-11(10)17-13/h3-4,7-9H,1-2,5-6H2,(H,14,15,16)
InChIKeyQXKQVHKAOAGNDN-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentanecarboxamide
CID 56592947
2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119672105

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 835551) is N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide is O=C(Nc1nc2ccccc2s1)C1CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is QXKQVHKAOAGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-12(9-5-1-2-6-9)15-13-14-10-7-3-4-8-11(10)17-13/h3-4,7-9H,1-2,5-6H2,(H,14,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 246.33 g/mol, XLogP of 3.42, 2 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-yl)cyclopentanecarboxamide is sourced from PubChem (CID 835551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).