2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C13H23N3S — CID 62750253

IUPAC2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)CC(C)C)sc21
InChIInChI=1S/C13H23N3S/c1-9(2)8-16(4)13-15-11-7-5-6-10(14-3)12(11)17-13/h9-10,14H,5-8H2,1-4H3
InChIKeyPJMGVAZXUINVER-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.83
Rot. Bonds4

About 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62750253) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62750253
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)CC(C)C)sc21
InChIInChI=1S/C13H23N3S/c1-9(2)8-16(4)13-15-11-7-5-6-10(14-3)12(11)17-13/h9-10,14H,5-8H2,1-4H3
InChIKeyPJMGVAZXUINVER-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine 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-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62750253) is 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CNC1CCCc2nc(N(C)CC(C)C)sc21.
What is the InChIKey of 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is PJMGVAZXUINVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)8-16(4)13-15-11-7-5-6-10(14-3)12(11)17-13/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 253.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62750253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).