(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C13H12ClFN2S — CID 167782187

IUPAC(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESN[C@H]1CCc2nc(-c3cc(Cl)ccc3F)sc2C1
InChIInChI=1S/C13H12ClFN2S/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1,3,5,8H,2,4,6,16H2/t8-/m0/s1
InChIKeyZPQBUOSQECCGOF-QMMMGPOBSA-N
MW282.77 g/mol
LogP3.42
Rot. Bonds1

About (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 167782187) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID167782187
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESN[C@H]1CCc2nc(-c3cc(Cl)ccc3F)sc2C1
InChIInChI=1S/C13H12ClFN2S/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1,3,5,8H,2,4,6,16H2/t8-/m0/s1
InChIKeyZPQBUOSQECCGOF-QMMMGPOBSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-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 (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 167782187) is (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is N[C@H]1CCc2nc(-c3cc(Cl)ccc3F)sc2C1.
What is the InChIKey of (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is ZPQBUOSQECCGOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1,3,5,8H,2,4,6,16H2/t8-/m0/s1.
What are the key properties of (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 282.77 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 167782187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).