3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid

C12H8N2O3S2 — CID 63641232

IUPAC3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1cnc2sccc2c1=O
InChIInChI=1S/C12H8N2O3S2/c15-11-8-2-4-19-10(8)13-6-14(11)5-7-1-3-18-9(7)12(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyVGJKZPUREXWRAU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.27
Rot. Bonds3

About 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid

3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63641232) has the molecular formula C12H8N2O3S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63641232
Molecular FormulaC12H8N2O3S2
Molecular Weight292.34 g/mol
Exact Mass292.00
IUPAC Name3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1cnc2sccc2c1=O
InChIInChI=1S/C12H8N2O3S2/c15-11-8-2-4-19-10(8)13-6-14(11)5-7-1-3-18-9(7)12(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyVGJKZPUREXWRAU-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic 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

5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
3-[(5-iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 66342646
3-[(5-iodo-6-oxopyrimidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 66309052
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63578955
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
(2S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136713
3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
N-[2-oxo-4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]chromen-7-yl]acetamide
CID 46818905

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid (CID 63641232) is 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1Cn1cnc2sccc2c1=O.
What is the InChIKey of 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is VGJKZPUREXWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S2/c15-11-8-2-4-19-10(8)13-6-14(11)5-7-1-3-18-9(7)12(16)17/h1-4,6H,5H2,(H,16,17).
What are the key properties of 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid?
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63641232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).