5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine

C13H21N3S — CID 13491307

IUPAC5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
SMILESCCCN1CCCC2Cc3nc(N)sc3CC21
InChIInChI=1S/C13H21N3S/c1-2-5-16-6-3-4-9-7-10-12(8-11(9)16)17-13(14)15-10/h9,11H,2-8H2,1H3,(H2,14,15)
InChIKeyIEDYWOWQGIBCHI-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.31
Rot. Bonds2

About 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine

5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine (PubChem CID 13491307) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine.

Molecular Properties

Compound Name5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
PubChem CID13491307
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
SMILESCCCN1CCCC2Cc3nc(N)sc3CC21
InChIInChI=1S/C13H21N3S/c1-2-5-16-6-3-4-9-7-10-12(8-11(9)16)17-13(14)15-10/h9,11H,2-8H2,1H3,(H2,14,15)
InChIKeyIEDYWOWQGIBCHI-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-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 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The IUPAC name of 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine (CID 13491307) is 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine.
What is the SMILES notation for 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The canonical SMILES for 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine is CCCN1CCCC2Cc3nc(N)sc3CC21.
What is the InChIKey of 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
The InChIKey is IEDYWOWQGIBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-5-16-6-3-4-9-7-10-12(8-11(9)16)17-13(14)15-10/h9,11H,2-8H2,1H3,(H2,14,15).
What are the key properties of 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine?
5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine is sourced from PubChem (CID 13491307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).