5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid

C16H10N2O5S — CID 28896327

IUPAC5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3scc(-c4ccco4)c3c2=O)o1
InChIInChI=1S/C16H10N2O5S/c19-15-13-10(11-2-1-5-22-11)7-24-14(13)17-8-18(15)6-9-3-4-12(23-9)16(20)21/h1-5,7-8H,6H2,(H,20,21)
InChIKeyXOCBROFWROCCOO-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.06
Rot. Bonds4

About 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid

5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid (PubChem CID 28896327) has the molecular formula C16H10N2O5S and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid
PubChem CID28896327
Molecular FormulaC16H10N2O5S
Molecular Weight342.33 g/mol
Exact Mass342.03
IUPAC Name5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3scc(-c4ccco4)c3c2=O)o1
InChIInChI=1S/C16H10N2O5S/c19-15-13-10(11-2-1-5-22-11)7-24-14(13)17-8-18(15)6-9-3-4-12(23-9)16(20)21/h1-5,7-8H,6H2,(H,20,21)
InChIKeyXOCBROFWROCCOO-UHFFFAOYSA-N
XLogP3.06
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
3-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-2,2-dimethylpropanoic acid
CID 28898290
2-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanethioamide
CID 39159325
5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid
CID 28896022
3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103330
5-(2,5-dichlorophenyl)-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide
CID 27862293
4-tert-butyl-N-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]benzamide
CID 17477269
5-[(6-methylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 82061397
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
N-[furan-2-yl(phenyl)methyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 55452709

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid (CID 28896327) is 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cnc3scc(-c4ccco4)c3c2=O)o1.
What is the InChIKey of 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid?
The InChIKey is XOCBROFWROCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5S/c19-15-13-10(11-2-1-5-22-11)7-24-14(13)17-8-18(15)6-9-3-4-12(23-9)16(20)21/h1-5,7-8H,6H2,(H,20,21).
What are the key properties of 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid?
5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 28896327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).