3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

C12H13ClN2S — CID 66030593

IUPAC3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C12H13ClN2S/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyOIICVDNPLOLYSU-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.54
Rot. Bonds1

About 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 66030593) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID66030593
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C12H13ClN2S/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2
InChIKeyOIICVDNPLOLYSU-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 55148266
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 106323063
4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine
CID 167090747
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964104
(3R,5S)-5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964108
5-chloro-2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1,3-benzothiazole
CID 56513636
3-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119698351

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (CID 66030593) is 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is NC1CCC(c2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is OIICVDNPLOLYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2.
What are the key properties of 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 252.77 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).