4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole

C21H18FN5O2S — CID 169206942

IUPAC4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(-c2nnc3n2CCSC3)cn1
InChIInChI=1S/C21H18FN5O2S/c1-13-17(20(26-29-13)14-2-5-16(22)6-3-14)11-28-19-7-4-15(10-23-19)21-25-24-18-12-30-9-8-27(18)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyZNZWUKQTDZJTCY-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.27
Rot. Bonds5

About 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole

4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole (PubChem CID 169206942) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
PubChem CID169206942
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(-c2nnc3n2CCSC3)cn1
InChIInChI=1S/C21H18FN5O2S/c1-13-17(20(26-29-13)14-2-5-16(22)6-3-14)11-28-19-7-4-15(10-23-19)21-25-24-18-12-30-9-8-27(18)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyZNZWUKQTDZJTCY-UHFFFAOYSA-N
XLogP4.27
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole (CID 169206942) is 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1ccc(-c2nnc3n2CCSC3)cn1.
What is the InChIKey of 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is ZNZWUKQTDZJTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-13-17(20(26-29-13)14-2-5-16(22)6-3-14)11-28-19-7-4-15(10-23-19)21-25-24-18-12-30-9-8-27(18)21/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 423.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 169206942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).