1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

C17H12N2O2S2 — CID 6458637

IUPAC1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1cc2c(SCC(=O)c3cc4ccccc4o3)ncnc2s1
InChIInChI=1S/C17H12N2O2S2/c1-10-6-12-16(18-9-19-17(12)23-10)22-8-13(20)15-7-11-4-2-3-5-14(11)21-15/h2-7,9H,8H2,1H3
InChIKeyWZGDBSIVQCQVNA-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.72
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (PubChem CID 6458637) has the molecular formula C17H12N2O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
PubChem CID6458637
Molecular FormulaC17H12N2O2S2
Molecular Weight340.43 g/mol
Exact Mass340.03
IUPAC Name1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1cc2c(SCC(=O)c3cc4ccccc4o3)ncnc2s1
InChIInChI=1S/C17H12N2O2S2/c1-10-6-12-16(18-9-19-17(12)23-10)22-8-13(20)15-7-11-4-2-3-5-14(11)21-15/h2-7,9H,8H2,1H3
InChIKeyWZGDBSIVQCQVNA-UHFFFAOYSA-N
XLogP4.72
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (CID 6458637) is 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is Cc1cc2c(SCC(=O)c3cc4ccccc4o3)ncnc2s1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The InChIKey is WZGDBSIVQCQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S2/c1-10-6-12-16(18-9-19-17(12)23-10)22-8-13(20)15-7-11-4-2-3-5-14(11)21-15/h2-7,9H,8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone has a molecular weight of 340.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 6458637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).