5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine

C10H15N3S — CID 14004037

IUPAC5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine
SMILESNc1nc2c(s1)CCN1CCCCC21
InChIInChI=1S/C10H15N3S/c11-10-12-9-7-3-1-2-5-13(7)6-4-8(9)14-10/h7H,1-6H2,(H2,11,12)
InChIKeyXBPQBUKYWUVAEY-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.81
Rot. Bonds

About 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine

5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine (PubChem CID 14004037) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine.

Molecular Properties

Compound Name5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine
PubChem CID14004037
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine
SMILESNc1nc2c(s1)CCN1CCCCC21
InChIInChI=1S/C10H15N3S/c11-10-12-9-7-3-1-2-5-13(7)6-4-8(9)14-10/h7H,1-6H2,(H2,11,12)
InChIKeyXBPQBUKYWUVAEY-UHFFFAOYSA-N
XLogP1.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine?
The IUPAC name of 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine (CID 14004037) is 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine.
What is the SMILES notation for 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine?
The canonical SMILES for 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine is Nc1nc2c(s1)CCN1CCCCC21.
What is the InChIKey of 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine?
The InChIKey is XBPQBUKYWUVAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-10-12-9-7-3-1-2-5-13(7)6-4-8(9)14-10/h7H,1-6H2,(H2,11,12).
What are the key properties of 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine?
5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8,9,10,10a-hexahydro-4H-[1,3]thiazolo[4,5-a]quinolizin-2-amine is sourced from PubChem (CID 14004037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).