6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine

C13H15ClN2S — CID 79528936

IUPAC6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCCC3)sc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-5-6-11-12(7-10)17-13(16-11)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyAAXCRPMHELGQDV-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.55
Rot. Bonds3

About 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 79528936) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
PubChem CID79528936
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCCC3)sc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-5-6-11-12(7-10)17-13(16-11)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyAAXCRPMHELGQDV-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (CID 79528936) is 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC3CCCC3)sc2c1.
What is the InChIKey of 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is AAXCRPMHELGQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-5-6-11-12(7-10)17-13(16-11)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16).
What are the key properties of 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).