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

C19H14N4O3S3 — CID 46661465

IUPAC2-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC(Sc1nc2ccsc2c(=O)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C19H14N4O3S3/c1-9(29-19-20-11-5-7-27-14(11)18(25)23(19)2)15-21-16(24)13-10(8-28-17(13)22-15)12-4-3-6-26-12/h3-9H,1-2H3,(H,21,22,24)
InChIKeyACACHIZIKTWCNI-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.41
Rot. Bonds4

About 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

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 (PubChem CID 46661465) has the molecular formula C19H14N4O3S3 and a molecular weight of 442.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID46661465
Molecular FormulaC19H14N4O3S3
Molecular Weight442.55 g/mol
Exact Mass442.02
IUPAC Name2-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC(Sc1nc2ccsc2c(=O)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C19H14N4O3S3/c1-9(29-19-20-11-5-7-27-14(11)18(25)23(19)2)15-21-16(24)13-10(8-28-17(13)22-15)12-4-3-6-26-12/h3-9H,1-2H3,(H,21,22,24)
InChIKeyACACHIZIKTWCNI-UHFFFAOYSA-N
XLogP4.41
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-(furan-2-yl)-2-(1-thieno[3,2-d]pyrimidin-4-ylsulfanylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46661869
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-(2-methylphenyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60561787
2-[1-[[5-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 16572998
5-(furan-2-yl)-2-[1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 55483477
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-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46648096
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
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
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
ethyl 1-ethyl-2-[1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethylsulfanyl]benzimidazole-5-carboxylate
CID 24530652
5-(furan-2-yl)-2-[1-[(1-methylpyrazol-3-yl)methylsulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 75456629

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Sc1nc2ccsc2c(=O)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1.
What is the InChIKey of 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?
The InChIKey is ACACHIZIKTWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S3/c1-9(29-19-20-11-5-7-27-14(11)18(25)23(19)2)15-21-16(24)13-10(8-28-17(13)22-15)12-4-3-6-26-12/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 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?
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 has a molecular weight of 442.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).