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

C19H13N5O3S2 — CID 42923510

IUPAC5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Sc1nnc(-c2ccncc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C19H13N5O3S2/c1-10(29-19-24-23-17(27-19)11-4-6-20-7-5-11)15-21-16(25)14-12(9-28-18(14)22-15)13-3-2-8-26-13/h2-10H,1H3,(H,21,22,25)
InChIKeyWAIPFKZRXWGDEQ-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.54
Rot. Bonds5

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

5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 42923510) has the molecular formula C19H13N5O3S2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID42923510
Molecular FormulaC19H13N5O3S2
Molecular Weight423.48 g/mol
Exact Mass423.05
IUPAC Name5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Sc1nnc(-c2ccncc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C19H13N5O3S2/c1-10(29-19-24-23-17(27-19)11-4-6-20-7-5-11)15-21-16(25)14-12(9-28-18(14)22-15)13-3-2-8-26-13/h2-10H,1H3,(H,21,22,25)
InChIKeyWAIPFKZRXWGDEQ-UHFFFAOYSA-N
XLogP4.54
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-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-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 42923510) is 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-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-[1-[(5-pyridin-4-yl-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-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is CC(Sc1nnc(-c2ccncc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1.
What is the InChIKey of 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WAIPFKZRXWGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S2/c1-10(29-19-24-23-17(27-19)11-4-6-20-7-5-11)15-21-16(25)14-12(9-28-18(14)22-15)13-3-2-8-26-13/h2-10H,1H3,(H,21,22,25).
What are the key properties of 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 423.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42923510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).