N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C10H16N2S — CID 62078789

IUPACN-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2ncsc21
InChIInChI=1S/C10H16N2S/c1-2-6-11-8-4-3-5-9-10(8)13-7-12-9/h7-8,11H,2-6H2,1H3
InChIKeyGJXNECBRKGDIDE-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.52
Rot. Bonds3

About N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62078789) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62078789
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2ncsc21
InChIInChI=1S/C10H16N2S/c1-2-6-11-8-4-3-5-9-10(8)13-7-12-9/h7-8,11H,2-6H2,1H3
InChIKeyGJXNECBRKGDIDE-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine 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

N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079691
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078950
2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62090771
2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727681
2-(6-methyl-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104823158
7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 23038095
2-N-methyl-7-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754764
(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 162494432
2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080080
2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879

Frequently Asked Questions

What is the IUPAC name of N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62078789) is N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2ncsc21.
What is the InChIKey of N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is GJXNECBRKGDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-6-11-8-4-3-5-9-10(8)13-7-12-9/h7-8,11H,2-6H2,1H3.
What are the key properties of N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 196.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62078789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).