3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C15H15FN2OS2 — CID 2052857

IUPAC3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C15H15FN2OS2/c1-2-8-21-15-17-12-7-9-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyUOBXJPYFQYVTRQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 2052857) has the molecular formula C15H15FN2OS2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID2052857
Molecular FormulaC15H15FN2OS2
Molecular Weight322.43 g/mol
Exact Mass322.06
IUPAC Name3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C15H15FN2OS2/c1-2-8-21-15-17-12-7-9-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyUOBXJPYFQYVTRQ-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-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 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 2052857) is 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2.
What is the InChIKey of 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is UOBXJPYFQYVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS2/c1-2-8-21-15-17-12-7-9-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 2052857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).