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

C13H21N3S — CID 21298213

IUPAC6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
SMILESCCCN1CCCC2c3nc(N)sc3CCC21
InChIInChI=1S/C13H21N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyYZXHGMLAVBMVDU-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.63
Rot. Bonds2

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

6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine (PubChem CID 21298213) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine.

Molecular Properties

Compound Name6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
PubChem CID21298213
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
SMILESCCCN1CCCC2c3nc(N)sc3CCC21
InChIInChI=1S/C13H21N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyYZXHGMLAVBMVDU-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The IUPAC name of 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine (CID 21298213) is 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine.
What is the SMILES notation for 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The canonical SMILES for 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine is CCCN1CCCC2c3nc(N)sc3CCC21.
What is the InChIKey of 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The InChIKey is YZXHGMLAVBMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11/h9-10H,2-8H2,1H3,(H2,14,15).
What are the key properties of 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine?
6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine is sourced from PubChem (CID 21298213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).