2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C11H16N2S — CID 65420210

IUPAC2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CC1c1nc2c(s1)CCCC2N
InChIInChI=1S/C11H16N2S/c1-6-5-7(6)11-13-10-8(12)3-2-4-9(10)14-11/h6-8H,2-5,12H2,1H3
InChIKeyGDSUEDJQNXLLPC-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.60
Rot. Bonds1

About 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 65420210) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID65420210
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CC1c1nc2c(s1)CCCC2N
InChIInChI=1S/C11H16N2S/c1-6-5-7(6)11-13-10-8(12)3-2-4-9(10)14-11/h6-8H,2-5,12H2,1H3
InChIKeyGDSUEDJQNXLLPC-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-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 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 65420210) is 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CC1CC1c1nc2c(s1)CCCC2N.
What is the InChIKey of 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is GDSUEDJQNXLLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-6-5-7(6)11-13-10-8(12)3-2-4-9(10)14-11/h6-8H,2-5,12H2,1H3.
What are the key properties of 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 208.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 65420210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).