2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine

C14H19N3S — CID 160622467

IUPAC2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine
SMILESC1=C2SCNC2Nc2ccccc21.C1CCNC1
InChIInChI=1S/C10H10N2S.C4H9N/c1-2-4-8-7(3-1)5-9-10(12-8)11-6-13-9;1-2-4-5-3-1/h1-5,10-12H,6H2;5H,1-4H2
InChIKeyRGWMLLKUKNEAPU-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.44
Rot. Bonds

About 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine

2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine (PubChem CID 160622467) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine
PubChem CID160622467
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine
SMILESC1=C2SCNC2Nc2ccccc21.C1CCNC1
InChIInChI=1S/C10H10N2S.C4H9N/c1-2-4-8-7(3-1)5-9-10(12-8)11-6-13-9;1-2-4-5-3-1/h1-5,10-12H,6H2;5H,1-4H2
InChIKeyRGWMLLKUKNEAPU-UHFFFAOYSA-N
XLogP2.44
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine 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 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine?
The IUPAC name of 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine (CID 160622467) is 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine?
The canonical SMILES for 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine is C1=C2SCNC2Nc2ccccc21.C1CCNC1.
What is the InChIKey of 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine?
The InChIKey is RGWMLLKUKNEAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.C4H9N/c1-2-4-8-7(3-1)5-9-10(12-8)11-6-13-9;1-2-4-5-3-1/h1-5,10-12H,6H2;5H,1-4H2.
What are the key properties of 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine?
2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine has a molecular weight of 261.39 g/mol, XLogP of 2.44, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-[1,3]thiazolo[4,5-b]quinoline;pyrrolidine is sourced from PubChem (CID 160622467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).