1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine

C13H16N2S — CID 79146195

IUPAC1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cccc2sc(C(C)(N)C3CC3)nc12
InChIInChI=1S/C13H16N2S/c1-8-4-3-5-10-11(8)15-12(16-10)13(2,14)9-6-7-9/h3-5,9H,6-7,14H2,1-2H3
InChIKeyYHHAJDNEQGXLDA-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.19
Rot. Bonds2

About 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine

1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 79146195) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
PubChem CID79146195
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cccc2sc(C(C)(N)C3CC3)nc12
InChIInChI=1S/C13H16N2S/c1-8-4-3-5-10-11(8)15-12(16-10)13(2,14)9-6-7-9/h3-5,9H,6-7,14H2,1-2H3
InChIKeyYHHAJDNEQGXLDA-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine 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 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine (CID 79146195) is 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine is Cc1cccc2sc(C(C)(N)C3CC3)nc12.
What is the InChIKey of 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is YHHAJDNEQGXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-3-5-10-11(8)15-12(16-10)13(2,14)9-6-7-9/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine?
1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 79146195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).