3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one

C14H9N3O2S2 — CID 32740125

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2
InChIKeyMZCXCSOFXAAIHY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.22
Rot. Bonds3

About 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 32740125) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID32740125
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2
InChIKeyMZCXCSOFXAAIHY-UHFFFAOYSA-N
XLogP3.22
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 32740125) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MZCXCSOFXAAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2.
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 32740125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).