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

C19H16FN3O3S — CID 3250000

IUPAC5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCOc1ccc(C2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1OC
InChIInChI=1S/C19H16FN3O3S/c1-25-14-8-5-12(9-15(14)26-2)16-10-17(24)23-19(27-16)21-18(22-23)11-3-6-13(20)7-4-11/h3-9,16H,10H2,1-2H3
InChIKeyWXSKMZPLPNVNCI-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.98
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (PubChem CID 3250000) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
PubChem CID3250000
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCOc1ccc(C2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1OC
InChIInChI=1S/C19H16FN3O3S/c1-25-14-8-5-12(9-15(14)26-2)16-10-17(24)23-19(27-16)21-18(22-23)11-3-6-13(20)7-4-11/h3-9,16H,10H2,1-2H3
InChIKeyWXSKMZPLPNVNCI-UHFFFAOYSA-N
XLogP3.98
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CID 3250000) is 5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is COc1ccc(C2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The InChIKey is WXSKMZPLPNVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-25-14-8-5-12(9-15(14)26-2)16-10-17(24)23-19(27-16)21-18(22-23)11-3-6-13(20)7-4-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one has a molecular weight of 385.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is sourced from PubChem (CID 3250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).