6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

C10H17N3S — CID 4885

IUPAC6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCNC1CCc2nc(N)sc2C1
InChIInChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyFASDKYOPVNHBLU-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.58
Rot. Bonds3

About 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (PubChem CID 4885) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
PubChem CID4885
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESCCCNC1CCc2nc(N)sc2C1
InChIInChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyFASDKYOPVNHBLU-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-propyl-4,5,6,7-tetrahydro-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

Related Compounds

Pramipexole
CID 119570
Dexpramipexole
CID 59868
Pramipexole Dihydrochloride Anhydrous
CID 119569
Pramipexole dihydrochloride monohydrate
CID 166589
2-Amino-4,5,6,7-tetrahydrobenzothiazole
CID 18046
Etrabamine
CID 68895
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide
CID 11580040
PRAMIPEXOLE HCl
CID 9964861
Dexpramipexole Dihydrochloride
CID 46174453
N~6~,N~6~-Dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 13670706
(R)-Pramipexole Dihydrochloride
CID 51052075
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, (S)-
CID 11521153

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (CID 4885) is 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is CCCNC1CCc2nc(N)sc2C1.
What is the InChIKey of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The InChIKey is FASDKYOPVNHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine has a molecular weight of 211.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 4885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).