3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C18H11FN2OS — CID 78324868

IUPAC3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(F)cc1
InChIInChI=1S/C18H11FN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
InChIKeyISKFVJUWBUYYPG-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.25
Rot. Bonds2

About 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78324868) has the molecular formula C18H11FN2OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78324868
Molecular FormulaC18H11FN2OS
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC Name3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(F)cc1
InChIInChI=1S/C18H11FN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
InChIKeyISKFVJUWBUYYPG-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-7-phenylthieno[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

CID 135468292
CID 135468292
CID 873444
CID 873444
CID 2102984
CID 2102984
CID 731336
CID 731336
CID 1118016
CID 1118016
CID 2876582
CID 2876582
CID 10177542
CID 10177542
CID 44391422
CID 44391422
CID 44391437
CID 44391437
CID 44391438
CID 44391438
CID 44391439
CID 44391439
CID 44391464
CID 44391464

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78324868) is 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is ISKFVJUWBUYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 322.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78324868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).