1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

C11H10FN3O2S — CID 60778806

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C11H10FN3O2S/c1-6-13-11(15-14-6)18-5-10(17)8-4-7(12)2-3-9(8)16/h2-4,16H,5H2,1H3,(H,13,14,15)
InChIKeyJIJJZVXJFIPNFI-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.93
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 60778806) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID60778806
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C11H10FN3O2S/c1-6-13-11(15-14-6)18-5-10(17)8-4-7(12)2-3-9(8)16/h2-4,16H,5H2,1H3,(H,13,14,15)
InChIKeyJIJJZVXJFIPNFI-UHFFFAOYSA-N
XLogP1.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone 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

1-(2,4-dihydroxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 715329
1-(3,4-dihydroxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 715330
1-(2,4-dihydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 715315
(3,5-difluoro-2-hydroxyphenyl)-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)methanone
CID 126481605
(E)-1-[2-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]-3-fluoroprop-2-en-1-one
CID 141759182
(3,5-difluoro-2-hydroxyphenyl)-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methanone
CID 145233534
1-[2-[2-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]-3-fluoroprop-2-en-1-one
CID 175214111
1-(5-fluoro-2-methoxyphenyl)-2-[[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25353278
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 25643447
1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 29616037
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39023513
1-(5-fluoro-2-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 41711782

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 60778806) is 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cc1nc(SCC(=O)c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is JIJJZVXJFIPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-6-13-11(15-14-6)18-5-10(17)8-4-7(12)2-3-9(8)16/h2-4,16H,5H2,1H3,(H,13,14,15).
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 267.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 60778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).