1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline

C10H14N2S — CID 67935475

IUPAC1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline
SMILESC1=C2C=C3NCSC3CC2NCC1
InChIInChI=1S/C10H14N2S/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h2,4,8,10-12H,1,3,5-6H2
InChIKeyPPKWPMBLZCOODG-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.22
Rot. Bonds

About 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline

1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline (PubChem CID 67935475) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline.

Molecular Properties

Compound Name1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline
PubChem CID67935475
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline
SMILESC1=C2C=C3NCSC3CC2NCC1
InChIInChI=1S/C10H14N2S/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h2,4,8,10-12H,1,3,5-6H2
InChIKeyPPKWPMBLZCOODG-UHFFFAOYSA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline?
The IUPAC name of 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline (CID 67935475) is 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline.
What is the SMILES notation for 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline?
The canonical SMILES for 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline is C1=C2C=C3NCSC3CC2NCC1.
What is the InChIKey of 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline?
The InChIKey is PPKWPMBLZCOODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h2,4,8,10-12H,1,3,5-6H2.
What are the key properties of 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline?
1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline has a molecular weight of 194.30 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4,4a,5,6,7-octahydro-[1,3]thiazolo[4,5-g]quinoline is sourced from PubChem (CID 67935475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).