1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

C12H13ClN2S — CID 79527764

IUPAC1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3s2)CCCC1
InChIInChI=1S/C12H13ClN2S/c13-8-3-4-9-10(7-8)16-11(15-9)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2
InChIKeyODJLNCONBPTGRO-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.68
Rot. Bonds1

About 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 79527764) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID79527764
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3s2)CCCC1
InChIInChI=1S/C12H13ClN2S/c13-8-3-4-9-10(7-8)16-11(15-9)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2
InChIKeyODJLNCONBPTGRO-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 79528035
1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine
CID 65465187
1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
6-chloro-2-(3-methylpyrrolidin-3-yl)-1,3-benzothiazole
CID 79528379
6-chloro-2-(4-ethylpiperidin-4-yl)-1,3-benzothiazole
CID 79528102
4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine
CID 115292485
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
[1-(5-chloro-1,3-benzothiazol-2-yl)cyclobutyl]methanamine
CID 115445980
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
6-chloro-2-iodo-1,3-benzothiazole
CID 18967167

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (CID 79527764) is 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is NC1(c2nc3ccc(Cl)cc3s2)CCCC1.
What is the InChIKey of 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is ODJLNCONBPTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-8-3-4-9-10(7-8)16-11(15-9)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2.
What are the key properties of 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 252.77 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 79527764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).