5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

C17H11ClFN3OS — CID 3720603

IUPAC5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESO=C1CC(c2ccc(Cl)cc2)Sc2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C17H11ClFN3OS/c18-12-5-1-10(2-6-12)14-9-15(23)22-17(24-14)20-16(21-22)11-3-7-13(19)8-4-11/h1-8,14H,9H2
InChIKeyAIIXAUZCKBKPCP-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.61
Rot. Bonds2

About 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (PubChem CID 3720603) has the molecular formula C17H11ClFN3OS and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
PubChem CID3720603
Molecular FormulaC17H11ClFN3OS
Molecular Weight359.81 g/mol
Exact Mass359.03
IUPAC Name5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESO=C1CC(c2ccc(Cl)cc2)Sc2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C17H11ClFN3OS/c18-12-5-1-10(2-6-12)14-9-15(23)22-17(24-14)20-16(21-22)11-3-7-13(19)8-4-11/h1-8,14H,9H2
InChIKeyAIIXAUZCKBKPCP-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CID 3720603) is 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is O=C1CC(c2ccc(Cl)cc2)Sc2nc(-c3ccc(F)cc3)nn21.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The InChIKey is AIIXAUZCKBKPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3OS/c18-12-5-1-10(2-6-12)14-9-15(23)22-17(24-14)20-16(21-22)11-3-7-13(19)8-4-11/h1-8,14H,9H2.
What are the key properties of 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one has a molecular weight of 359.81 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is sourced from PubChem (CID 3720603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).