1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

C14H13FN2O2S — CID 60971964

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1ncc(C)cn1
InChIInChI=1S/C14H13FN2O2S/c1-9-6-16-14(17-7-9)20-8-12(18)11-5-10(15)3-4-13(11)19-2/h3-7H,8H2,1-2H3
InChIKeyPSDXSIKEXWNGEW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.91
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (PubChem CID 60971964) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
PubChem CID60971964
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1ncc(C)cn1
InChIInChI=1S/C14H13FN2O2S/c1-9-6-16-14(17-7-9)20-8-12(18)11-5-10(15)3-4-13(11)19-2/h3-7H,8H2,1-2H3
InChIKeyPSDXSIKEXWNGEW-UHFFFAOYSA-N
XLogP2.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 7704457
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 24618559
1-(2-methoxy-5-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 47088425
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 8724282
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 16612210
1-(5-fluoro-2-methoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1138947

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (CID 60971964) is 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is COc1ccc(F)cc1C(=O)CSc1ncc(C)cn1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is PSDXSIKEXWNGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9-6-16-14(17-7-9)20-8-12(18)11-5-10(15)3-4-13(11)19-2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 292.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 60971964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).