2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

C13H16ClN3OS — CID 119672105

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H15N3OS.ClH/c14-9-5-3-4-8(9)12(17)16-13-15-10-6-1-2-7-11(10)18-13;/h1-2,6-9H,3-5,14H2,(H,15,16,17);1H
InChIKeyFRRHYPBEEOIXQL-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.78
Rot. Bonds2

About 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119672105) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119672105
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H15N3OS.ClH/c14-9-5-3-4-8(9)12(17)16-13-15-10-6-1-2-7-11(10)18-13;/h1-2,6-9H,3-5,14H2,(H,15,16,17);1H
InChIKeyFRRHYPBEEOIXQL-UHFFFAOYSA-N
XLogP2.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836976
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366
trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
(1S,2R,3S,4S)-3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98563078
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
5-(1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102687647

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119672105) is 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FRRHYPBEEOIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.ClH/c14-9-5-3-4-8(9)12(17)16-13-15-10-6-1-2-7-11(10)18-13;/h1-2,6-9H,3-5,14H2,(H,15,16,17);1H.
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119672105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).