2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone

C16H14N2OS2 — CID 696853

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone
SMILESCCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H14N2OS2/c1-2-12-8-13-15(17-10-18-16(13)21-12)20-9-14(19)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyQDCKKCAPONFACL-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.23
Rot. Bonds5

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone (PubChem CID 696853) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone
PubChem CID696853
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone
SMILESCCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H14N2OS2/c1-2-12-8-13-15(17-10-18-16(13)21-12)20-9-14(19)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyQDCKKCAPONFACL-UHFFFAOYSA-N
XLogP4.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone (CID 696853) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone is CCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone?
The InChIKey is QDCKKCAPONFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-2-12-8-13-15(17-10-18-16(13)21-12)20-9-14(19)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone has a molecular weight of 314.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 696853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).