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

C18H12N4OS4 — CID 24559064

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

5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 24559064) has the molecular formula C18H12N4OS4 and a molecular weight of 428.59 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 24559064
• Molecular Formula: C18H12N4OS4
• Molecular Weight: 428.59 g/mol
• Exact Mass: 427.99
• IUPAC Name: 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
• SMILES: Cc1ccc(-c2csc3nc(CSc4ncnc5ccsc45)[nH]c(=O)c23)s1
• InChI: InChI=1S/C18H12N4OS4/c1-9-2-3-12(27-9)10-6-25-17-14(10)16(23)21-13(22-17)7-26-18-15-11(4-5-24-15)19-8-20-18/h2-6,8H,7H2,1H3,(H,21,22,23)
• InChIKey: GHFWAKYYAIFJJV-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.59
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 24559064) is 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(CSc4ncnc5ccsc45)[nH]c(=O)c23)s1.

What is the InChIKey of 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?

The InChIKey is GHFWAKYYAIFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS4/c1-9-2-3-12(27-9)10-6-25-17-14(10)16(23)21-13(22-17)7-26-18-15-11(4-5-24-15)19-8-20-18/h2-6,8H,7H2,1H3,(H,21,22,23).

What are the key properties of 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?

5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 428.59 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).