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

C13H15ClN2S — CID 43371237

IUPAC5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCC3CCCC3)nc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-5-6-12-11(7-10)16-13(17-12)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyVMPWGHOHDICGLR-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.55
Rot. Bonds3

About 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine

5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 43371237) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
PubChem CID43371237
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCC3CCCC3)nc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-5-6-12-11(7-10)16-13(17-12)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyVMPWGHOHDICGLR-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

Analyze 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (CID 43371237) is 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is Clc1ccc2sc(NCC3CCCC3)nc2c1.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is VMPWGHOHDICGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-5-6-12-11(7-10)16-13(17-12)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16).
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
5-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 5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43371237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).