2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone

C11H10N2OS2 — CID 60971710

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCc1cnc(SCC(=O)c2cccs2)nc1
InChIInChI=1S/C11H10N2OS2/c1-8-5-12-11(13-6-8)16-7-9(14)10-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyBWKXXLGJSLOYBQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone

2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 60971710) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID60971710
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCc1cnc(SCC(=O)c2cccs2)nc1
InChIInChI=1S/C11H10N2OS2/c1-8-5-12-11(13-6-8)16-7-9(14)10-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyBWKXXLGJSLOYBQ-UHFFFAOYSA-N
XLogP2.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971828
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 6492442
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 6486830
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 7257224
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 3386629
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 45035283
1-thiophen-2-ylpropan-1-one
CID 26179
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone (CID 60971710) is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone is Cc1cnc(SCC(=O)c2cccs2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is BWKXXLGJSLOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-8-5-12-11(13-6-8)16-7-9(14)10-3-2-4-15-10/h2-6H,7H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 250.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 60971710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).