1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

C20H19FN4O2S2 — CID 17444540

IUPAC1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCOc1cccc(-n2cnnc2SCC(=O)N2CCSC2c2ccccc2F)c1
InChIInChI=1S/C20H19FN4O2S2/c1-27-15-6-4-5-14(11-15)25-13-22-23-20(25)29-12-18(26)24-9-10-28-19(24)16-7-2-3-8-17(16)21/h2-8,11,13,19H,9-10,12H2,1H3
InChIKeyUDRAMIKXAMCPMK-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (PubChem CID 17444540) has the molecular formula C20H19FN4O2S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
PubChem CID17444540
Molecular FormulaC20H19FN4O2S2
Molecular Weight430.53 g/mol
Exact Mass430.09
IUPAC Name1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCOc1cccc(-n2cnnc2SCC(=O)N2CCSC2c2ccccc2F)c1
InChIInChI=1S/C20H19FN4O2S2/c1-27-15-6-4-5-14(11-15)25-13-22-23-20(25)29-12-18(26)24-9-10-28-19(24)16-7-2-3-8-17(16)21/h2-8,11,13,19H,9-10,12H2,1H3
InChIKeyUDRAMIKXAMCPMK-UHFFFAOYSA-N
XLogP3.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25354554
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 40744533
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 41048112
1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 17400749
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 40971974
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9362611
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25327317
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41210666
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 41250938
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17430108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CID 17444540) is 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is COc1cccc(-n2cnnc2SCC(=O)N2CCSC2c2ccccc2F)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The InChIKey is UDRAMIKXAMCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S2/c1-27-15-6-4-5-14(11-15)25-13-22-23-20(25)29-12-18(26)24-9-10-28-19(24)16-7-2-3-8-17(16)21/h2-8,11,13,19H,9-10,12H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone has a molecular weight of 430.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is sourced from PubChem (CID 17444540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).