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

C20H19N3O2S — CID 2936313

IUPAC5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCCOc1ccc(C2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1
InChIInChI=1S/C20H19N3O2S/c1-3-25-16-10-8-14(9-11-16)17-12-18(24)23-20(26-17)21-19(22-23)15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3
InChIKeyMFSLJLADKBBSPT-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.53
Rot. Bonds4

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

5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (PubChem CID 2936313) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
PubChem CID2936313
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCCOc1ccc(C2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1
InChIInChI=1S/C20H19N3O2S/c1-3-25-16-10-8-14(9-11-16)17-12-18(24)23-20(26-17)21-19(22-23)15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3
InChIKeyMFSLJLADKBBSPT-UHFFFAOYSA-N
XLogP4.53
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The IUPAC name of 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CID 2936313) is 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is CCOc1ccc(C2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The InChIKey is MFSLJLADKBBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-25-16-10-8-14(9-11-16)17-12-18(24)23-20(26-17)21-19(22-23)15-6-4-13(2)5-7-15/h4-11,17H,3,12H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one has a molecular weight of 365.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is sourced from PubChem (CID 2936313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).