5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C10H6N2OS2 — CID 656321

IUPAC5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc(-c3ccsc3)c12
InChIInChI=1S/C10H6N2OS2/c13-9-8-7(6-1-2-14-3-6)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
InChIKeyDUKSWLVZNWKJAU-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.71
Rot. Bonds1

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

5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 656321) has the molecular formula C10H6N2OS2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID656321
Molecular FormulaC10H6N2OS2
Molecular Weight234.31 g/mol
Exact Mass233.99
IUPAC Name5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc(-c3ccsc3)c12
InChIInChI=1S/C10H6N2OS2/c13-9-8-7(6-1-2-14-3-6)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
InChIKeyDUKSWLVZNWKJAU-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 665387
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 645569
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 735018
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-methyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3301641
5-(4-Isopropyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 703939
5-(4-Ethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 724921
5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CID 711228

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 656321) is 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2scc(-c3ccsc3)c12.
What is the InChIKey of 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DUKSWLVZNWKJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS2/c13-9-8-7(6-1-2-14-3-6)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13).
What are the key properties of 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 234.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 656321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).