2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

C17H12N2O2S — CID 167871748

IUPAC2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC/C(=C\c1coc2ccccc12)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C17H12N2O2S/c1-10(8-11-9-21-14-5-3-2-4-12(11)14)15-18-16(20)13-6-7-22-17(13)19-15/h2-9H,1H3,(H,18,19,20)/b10-8+
InChIKeySYRKUTSCOKGEFN-CSKARUKUSA-N
MW308.36 g/mol
LogP4.29
Rot. Bonds2

About 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 167871748) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID167871748
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC/C(=C\c1coc2ccccc12)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C17H12N2O2S/c1-10(8-11-9-21-14-5-3-2-4-12(11)14)15-18-16(20)13-6-7-22-17(13)19-15/h2-9H,1H3,(H,18,19,20)/b10-8+
InChIKeySYRKUTSCOKGEFN-CSKARUKUSA-N
XLogP4.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 167871748) is 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one is C/C(=C\c1coc2ccccc12)c1nc2sccc2c(=O)[nH]1.
What is the InChIKey of 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SYRKUTSCOKGEFN-CSKARUKUSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-10(8-11-9-21-14-5-3-2-4-12(11)14)15-18-16(20)13-6-7-22-17(13)19-15/h2-9H,1H3,(H,18,19,20)/b10-8+.
What are the key properties of 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 308.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1-benzofuran-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167871748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).