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

C15H15N3S2 — CID 20982864

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cc3nc4ccccc4s3)sc21
InChIInChI=1S/C15H15N3S2/c16-9-4-3-6-11-15(9)20-14(18-11)8-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,9H,3-4,6,8,16H2
InChIKeyGELWDUIOACFNMR-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.68
Rot. Bonds2

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

2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 20982864) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID20982864
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cc3nc4ccccc4s3)sc21
InChIInChI=1S/C15H15N3S2/c16-9-4-3-6-11-15(9)20-14(18-11)8-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,9H,3-4,6,8,16H2
InChIKeyGELWDUIOACFNMR-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-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-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 20982864) is 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(Cc3nc4ccccc4s3)sc21.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is GELWDUIOACFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c16-9-4-3-6-11-15(9)20-14(18-11)8-13-17-10-5-1-2-7-12(10)19-13/h1-2,5,7,9H,3-4,6,8,16H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 301.44 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 20982864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).