6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C10H16N2S — CID 11820020

IUPAC6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCC1CCc2nc(N)sc2C1
InChIInChI=1S/C10H16N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyJBMJUFXLQKSCQL-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.63
Rot. Bonds2

About 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 11820020) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID11820020
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCC1CCc2nc(N)sc2C1
InChIInChI=1S/C10H16N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyJBMJUFXLQKSCQL-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 11820020) is 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCCC1CCc2nc(N)sc2C1.
What is the InChIKey of 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is JBMJUFXLQKSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-3-7-4-5-8-9(6-7)13-10(11)12-8/h7H,2-6H2,1H3,(H2,11,12).
What are the key properties of 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11820020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).