2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one

C17H11FN4O2S2 — CID 178171340

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1cnc(-n2c(SCc3ccc(F)cc3)nc3ccsc3c2=O)c[nH]1
InChIInChI=1S/C17H11FN4O2S2/c18-11-3-1-10(2-4-11)9-26-17-21-12-5-6-25-15(12)16(24)22(17)13-7-20-14(23)8-19-13/h1-8H,9H2,(H,20,23)
InChIKeyXTIGDEDASTUYIH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.96
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one

2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 178171340) has the molecular formula C17H11FN4O2S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one
PubChem CID178171340
Molecular FormulaC17H11FN4O2S2
Molecular Weight386.43 g/mol
Exact Mass386.03
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1cnc(-n2c(SCc3ccc(F)cc3)nc3ccsc3c2=O)c[nH]1
InChIInChI=1S/C17H11FN4O2S2/c18-11-3-1-10(2-4-11)9-26-17-21-12-5-6-25-15(12)16(24)22(17)13-7-20-14(23)8-19-13/h1-8H,9H2,(H,20,23)
InChIKeyXTIGDEDASTUYIH-UHFFFAOYSA-N
XLogP2.96
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[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

Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
CID 99872485
2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53335521
2-[2-(4-fluorophenoxy)ethylsulfanyl]-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 53366563
2-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4124964
3-(4-bromophenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 53366429
2-benzylsulfanyl-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 53331705
2-[3-(3,5-difluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)-N-methylacetamide
CID 71825235
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 4146313
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-[2-(4-chlorophenyl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 53366555
3-methyl-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
CID 35194544
N-butyl-2-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921378
3-[(4-fluorophenyl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46921442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one (CID 178171340) is 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one is O=c1cnc(-n2c(SCc3ccc(F)cc3)nc3ccsc3c2=O)c[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XTIGDEDASTUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S2/c18-11-3-1-10(2-4-11)9-26-17-21-12-5-6-25-15(12)16(24)22(17)13-7-20-14(23)8-19-13/h1-8H,9H2,(H,20,23).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one?
2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 386.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 178171340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).