2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

C20H14N2O3S — CID 28898547

IUPAC2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H14N2O3S/c23-16(24)11-22-18(14-9-5-2-6-10-14)21-19-17(20(22)25)15(12-26-19)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,23,24)
InChIKeyJXZAYKBJUFDIPB-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 28898547) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID28898547
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)nc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H14N2O3S/c23-16(24)11-22-18(14-9-5-2-6-10-14)21-19-17(20(22)25)15(12-26-19)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,23,24)
InChIKeyJXZAYKBJUFDIPB-UHFFFAOYSA-N
XLogP3.88
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid 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-oxo-2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898565
2-(4-oxo-5-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898441
2-[5-(4-methylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898850
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
3-(2-bromoethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 82027815
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
2-[2-ethyl-5-(3-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898786
2-[5-(3-methoxyphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898919
2-[5-(4-chloro-3-methylphenyl)-2-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898789
2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899206
ethyl 2-(3-benzyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 58691656
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 28898547) is 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is O=C(O)Cn1c(-c2ccccc2)nc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is JXZAYKBJUFDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-16(24)11-22-18(14-9-5-2-6-10-14)21-19-17(20(22)25)15(12-26-19)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,23,24).
What are the key properties of 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 362.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 28898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).