1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

C15H18N2OS2 — CID 8952075

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cc(C(=O)CSc2nc(C)c(C)c(C)n2)c(C)s1
InChIInChI=1S/C15H18N2OS2/c1-8-6-13(12(5)20-8)14(18)7-19-15-16-10(3)9(2)11(4)17-15/h6H,7H2,1-5H3
InChIKeyMRXRYBYXTKNNIA-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.06
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone

1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (PubChem CID 8952075) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
PubChem CID8952075
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cc(C(=O)CSc2nc(C)c(C)c(C)n2)c(C)s1
InChIInChI=1S/C15H18N2OS2/c1-8-6-13(12(5)20-8)14(18)7-19-15-16-10(3)9(2)11(4)17-15/h6H,7H2,1-5H3
InChIKeyMRXRYBYXTKNNIA-UHFFFAOYSA-N
XLogP4.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 55021453
1-(2,5-dimethylthiophen-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42115468
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
1-(5-ethylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 60659817
1-(2,5-dimethylthiophen-3-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 104599487
1-(3,4-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 60627076
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43222252
N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8954149
2-[[5-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376577
1-(2,5-dimethylthiophen-3-yl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 62253798
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 18196963
1-(2,5-dimethylthiophen-3-yl)-2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7629801

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone (CID 8952075) is 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is Cc1cc(C(=O)CSc2nc(C)c(C)c(C)n2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is MRXRYBYXTKNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-8-6-13(12(5)20-8)14(18)7-19-15-16-10(3)9(2)11(4)17-15/h6H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 306.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 8952075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).