5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

C16H10N2O5S2 — CID 28896022

IUPAC5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1
InChIInChI=1S/C16H10N2O5S2/c19-13-12-9(10-2-1-5-22-10)7-24-14(12)18-16(17-13)25-6-8-3-4-11(23-8)15(20)21/h1-5,7H,6H2,(H,20,21)(H,17,18,19)
InChIKeyVTNYXDKBIMVCEM-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.83
Rot. Bonds5

About 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 28896022) has the molecular formula C16H10N2O5S2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid
PubChem CID28896022
Molecular FormulaC16H10N2O5S2
Molecular Weight374.40 g/mol
Exact Mass374.00
IUPAC Name5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1
InChIInChI=1S/C16H10N2O5S2/c19-13-12-9(10-2-1-5-22-10)7-24-14(12)18-16(17-13)25-6-8-3-4-11(23-8)15(20)21/h1-5,7H,6H2,(H,20,21)(H,17,18,19)
InChIKeyVTNYXDKBIMVCEM-UHFFFAOYSA-N
XLogP3.83
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid with MolForge

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Related Compounds

3-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanenitrile
CID 39158911
5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid
CID 28896327
4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 7575504
2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868535
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28914610
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2075669
[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8784654
1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 9291984
2-[[5-(4-ethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899485
4-[[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
CID 2076209
5-(furan-2-yl)-2-[1-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 55477304
5-(furan-2-yl)-2-[1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42926038

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid (CID 28896022) is 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CSc2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1.
What is the InChIKey of 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is VTNYXDKBIMVCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5S2/c19-13-12-9(10-2-1-5-22-10)7-24-14(12)18-16(17-13)25-6-8-3-4-11(23-8)15(20)21/h1-5,7H,6H2,(H,20,21)(H,17,18,19).
What are the key properties of 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid?
5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 28896022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).