5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

C16H10N2OS3 — CID 6217988

IUPAC5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccsc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H10N2OS3/c19-15-14-11(12-2-1-6-21-12)9-22-16(14)18-13(17-15)4-3-10-5-7-20-8-10/h1-9H,(H,17,18,19)/b4-3+
InChIKeyDQTJXECHWHUKBU-ONEGZZNKSA-N
MW342.47 g/mol
LogP4.95
Rot. Bonds3

About 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 6217988) has the molecular formula C16H10N2OS3 and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID6217988
Molecular FormulaC16H10N2OS3
Molecular Weight342.47 g/mol
Exact Mass342.00
IUPAC Name5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccsc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H10N2OS3/c19-15-14-11(12-2-1-6-21-12)9-22-16(14)18-13(17-15)4-3-10-5-7-20-8-10/h1-9H,(H,17,18,19)/b4-3+
InChIKeyDQTJXECHWHUKBU-ONEGZZNKSA-N
XLogP4.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromoethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065049
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 134093392
2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868588
2-[(Z)-1-chloro-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 6218468
5-(2-thiophen-3-ylethenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 4794572
2-[2-(4-bromophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4831022
2-[(Z)-1-chloro-2-[4-(dimethylamino)phenyl]ethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8586685
2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
CID 7247141
2-(2-methylpropylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7587993
2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4876771
2-(piperidin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2097897
[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] (E)-3-phenylprop-2-enoate
CID 7766623

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 6217988) is 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(/C=C/c2ccsc2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DQTJXECHWHUKBU-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H10N2OS3/c19-15-14-11(12-2-1-6-21-12)9-22-16(14)18-13(17-15)4-3-10-5-7-20-8-10/h1-9H,(H,17,18,19)/b4-3+.
What are the key properties of 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 342.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).