6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H13N3O2S — CID 3241157

IUPAC6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCc2ccccc2C1
InChIInChI=1S/C16H13N3O2S/c20-14(13-9-17-16-19(15(13)21)7-8-22-16)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9H,5-6,10H2
InChIKeyQAZUICYSPKRPPE-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.95
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3241157) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3241157
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCc2ccccc2C1
InChIInChI=1S/C16H13N3O2S/c20-14(13-9-17-16-19(15(13)21)7-8-22-16)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9H,5-6,10H2
InChIKeyQAZUICYSPKRPPE-UHFFFAOYSA-N
XLogP1.95
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one 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 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3241157) is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QAZUICYSPKRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-14(13-9-17-16-19(15(13)21)7-8-22-16)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9H,5-6,10H2.
What are the key properties of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 311.37 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3241157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).