5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

C22H19N5O3S2 — CID 46648096

IUPAC5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C22H19N5O3S2/c1-13(32-22-26-25-21(29)27(22)10-9-14-6-3-2-4-7-14)18-23-19(28)17-15(12-31-20(17)24-18)16-8-5-11-30-16/h2-8,11-13H,9-10H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyAZMMDDSXOZPFDF-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.23
Rot. Bonds7

About 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46648096) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46648096
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC Name5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C22H19N5O3S2/c1-13(32-22-26-25-21(29)27(22)10-9-14-6-3-2-4-7-14)18-23-19(28)17-15(12-31-20(17)24-18)16-8-5-11-30-16/h2-8,11-13H,9-10H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyAZMMDDSXOZPFDF-UHFFFAOYSA-N
XLogP4.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-(furan-2-yl)-2-[1-(2-methylphenyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60561787
5-(furan-2-yl)-2-[1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42892290
2-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 46661465
5-(furan-2-yl)-2-[1-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24598436
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
10-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 46647991
5-(furan-2-yl)-2-[1-[(1-methylpyrazol-3-yl)methylsulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 75456629
2-[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46648568
5-(furan-2-yl)-2-[1-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46648123
4-(2-phenylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 42885212
5-(furan-2-yl)-2-[(1R)-1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 35423681
2-[1-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 16586670

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 46648096) is 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is CC(Sc1n[nH]c(=O)n1CCc1ccccc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1.
What is the InChIKey of 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AZMMDDSXOZPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-13(32-22-26-25-21(29)27(22)10-9-14-6-3-2-4-7-14)18-23-19(28)17-15(12-31-20(17)24-18)16-8-5-11-30-16/h2-8,11-13H,9-10H2,1H3,(H,25,29)(H,23,24,28).
What are the key properties of 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 465.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-[1-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46648096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).