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

C11H8N2OS2 — CID 4963645

IUPAC5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)s1
InChIInChI=1S/C11H8N2OS2/c1-6-2-3-8(16-6)7-4-15-11-9(7)10(14)12-5-13-11/h2-5H,1H3,(H,12,13,14)
InChIKeySYSIILLIYRVOMM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds1

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

5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 4963645) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID4963645
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)s1
InChIInChI=1S/C11H8N2OS2/c1-6-2-3-8(16-6)7-4-15-11-9(7)10(14)12-5-13-11/h2-5H,1H3,(H,12,13,14)
InChIKeySYSIILLIYRVOMM-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 4963645) is 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc[nH]c(=O)c23)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SYSIILLIYRVOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-6-2-3-8(16-6)7-4-15-11-9(7)10(14)12-5-13-11/h2-5H,1H3,(H,12,13,14).
What are the key properties of 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 4963645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).