(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate

C10H19Cl2N3OS-2 — CID 154730531

IUPAC(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
SMILESCCCN[C@H]1CCc2nc(N)sc2C1.O.[Cl-].[Cl-]
InChIInChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/p-2/t7-;;;/m0.../s1
InChIKeyAPVQOOKHDZVJEX-QTPLPEIMSA-L
MW300.26 g/mol
LogP-5.23
Rot. Bonds3

About (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate

(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate (PubChem CID 154730531) has the molecular formula C10H19Cl2N3OS-2 and a molecular weight of 300.26 g/mol. Its IUPAC name is (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate.

Molecular Properties

Compound Name(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
PubChem CID154730531
Molecular FormulaC10H19Cl2N3OS-2
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
SMILESCCCN[C@H]1CCc2nc(N)sc2C1.O.[Cl-].[Cl-]
InChIInChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/p-2/t7-;;;/m0.../s1
InChIKeyAPVQOOKHDZVJEX-QTPLPEIMSA-L
XLogP-5.23
TPSA82.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-5.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
CID 131853542
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
bis((E)-but-2-enedioic acid);6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 137395465
(2R,3R)-2,3-dihydroxybutanedioic acid;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 10294259
(6S)-N-propyl-2-[(E)-[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]diazenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 171703301
(6S,7R)-6-N-propyl-7-[[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 95162278
6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 140994202
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
6-N-ethenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 163809537
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 87483218
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]amino]ethyl]cyclohexyl]-tert-butylcarbamic acid
CID 87347698

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate?
The IUPAC name of (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate (CID 154730531) is (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate.
What is the SMILES notation for (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate?
The canonical SMILES for (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate is CCCN[C@H]1CCc2nc(N)sc2C1.O.[Cl-].[Cl-].
What is the InChIKey of (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate?
The InChIKey is APVQOOKHDZVJEX-QTPLPEIMSA-L. The full InChI is InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/p-2/t7-;;;/m0.../s1.
What are the key properties of (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate?
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate has a molecular weight of 300.26 g/mol, XLogP of -5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate is sourced from PubChem (CID 154730531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).