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

C21H16N4O3S2 — CID 35423681

About 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

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 (PubChem CID 35423681) has the molecular formula C21H16N4O3S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 35423681
• Molecular Formula: C21H16N4O3S2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.07
• IUPAC Name: 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
• SMILES: Cc1ccccc1-c1nnc(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1
• InChI: InChI=1S/C21H16N4O3S2/c1-11-6-3-4-7-13(11)19-24-25-21(28-19)30-12(2)17-22-18(26)16-14(10-29-20(16)23-17)15-8-5-9-27-15/h3-10,12H,1-2H3,(H,22,23,26)/t12-/m1/s1
• InChIKey: VZXLORRSJMIVQP-GFCCVEGCSA-N
• XLogP: 5.46
• TPSA: 97.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccccc1-c1nnc(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1.

What is the InChIKey of 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?

The InChIKey is VZXLORRSJMIVQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H16N4O3S2/c1-11-6-3-4-7-13(11)19-24-25-21(28-19)30-12(2)17-22-18(26)16-14(10-29-20(16)23-17)15-8-5-9-27-15/h3-10,12H,1-2H3,(H,22,23,26)/t12-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 436.52 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 35423681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).