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

C13H16N2S — CID 12741817

IUPACN-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NCC3CCCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-2-6-10(5-1)9-14-13-15-11-7-3-4-8-12(11)16-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyYZPPGGLRKVWTOD-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.90
Rot. Bonds3

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

N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 12741817) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
PubChem CID12741817
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NCC3CCCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-2-6-10(5-1)9-14-13-15-11-7-3-4-8-12(11)16-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyYZPPGGLRKVWTOD-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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

Related Compounds

N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
N-[(3-aminocyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 66005217
N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 114146982
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295840
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1,3-benzothiazol-2-amine
CID 95326395
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
N-benzyl-1,3-benzothiazol-2-amine
CID 617555

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine (CID 12741817) is N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is c1ccc2sc(NCC3CCCC3)nc2c1.
What is the InChIKey of N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YZPPGGLRKVWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-6-10(5-1)9-14-13-15-11-7-3-4-8-12(11)16-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15).
What are the key properties of N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine?
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 12741817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).