6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine

C13H13Cl2N3S — CID 177304851

IUPAC6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2c(s1)CC(N)(c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C13H13Cl2N3S/c14-8-3-1-2-7(11(8)15)13(17)5-4-9-10(6-13)19-12(16)18-9/h1-3H,4-6,17H2,(H2,16,18)
InChIKeyLCISVPSAHGTGLV-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.38
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine

6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (PubChem CID 177304851) has the molecular formula C13H13Cl2N3S and a molecular weight of 314.24 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
PubChem CID177304851
Molecular FormulaC13H13Cl2N3S
Molecular Weight314.24 g/mol
Exact Mass313.02
IUPAC Name6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2c(s1)CC(N)(c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C13H13Cl2N3S/c14-8-3-1-2-7(11(8)15)13(17)5-4-9-10(6-13)19-12(16)18-9/h1-3H,4-6,17H2,(H2,16,18)
InChIKeyLCISVPSAHGTGLV-UHFFFAOYSA-N
XLogP3.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-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 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (CID 177304851) is 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is Nc1nc2c(s1)CC(N)(c1cccc(Cl)c1Cl)CC2.
What is the InChIKey of 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The InChIKey is LCISVPSAHGTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3S/c14-8-3-1-2-7(11(8)15)13(17)5-4-9-10(6-13)19-12(16)18-9/h1-3H,4-6,17H2,(H2,16,18).
What are the key properties of 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine has a molecular weight of 314.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 177304851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).