1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

C15H18N2OS2 — CID 60659817

IUPAC1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C15H18N2OS2/c1-5-12-6-7-14(20-12)13(18)8-19-15-16-10(3)9(2)11(4)17-15/h6-7H,5,8H2,1-4H3
InChIKeyCUOUICLMHFWGKG-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.00
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (PubChem CID 60659817) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
PubChem CID60659817
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCCc1ccc(C(=O)CSc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C15H18N2OS2/c1-5-12-6-7-14(20-12)13(18)8-19-15-16-10(3)9(2)11(4)17-15/h6-7H,5,8H2,1-4H3
InChIKeyCUOUICLMHFWGKG-UHFFFAOYSA-N
XLogP4.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (CID 60659817) is 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is CCc1ccc(C(=O)CSc2nc(C)c(C)c(C)n2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is CUOUICLMHFWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-5-12-6-7-14(20-12)13(18)8-19-15-16-10(3)9(2)11(4)17-15/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 306.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 60659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).