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

C13H15N3O3S — CID 3718178

IUPAC2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
SMILESCOc1ccc(-c2nc3n(n2)CC(O)CS3)cc1OC
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-3-8(5-11(10)19-2)12-14-13-16(15-12)6-9(17)7-20-13/h3-5,9,17H,6-7H2,1-2H3
InChIKeyOOPFBGREOKNQSK-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.43
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol (PubChem CID 3718178) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
PubChem CID3718178
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
SMILESCOc1ccc(-c2nc3n(n2)CC(O)CS3)cc1OC
InChIInChI=1S/C13H15N3O3S/c1-18-10-4-3-8(5-11(10)19-2)12-14-13-16(15-12)6-9(17)7-20-13/h3-5,9,17H,6-7H2,1-2H3
InChIKeyOOPFBGREOKNQSK-UHFFFAOYSA-N
XLogP1.43
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol (CID 3718178) is 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol is COc1ccc(-c2nc3n(n2)CC(O)CS3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The InChIKey is OOPFBGREOKNQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-18-10-4-3-8(5-11(10)19-2)12-14-13-16(15-12)6-9(17)7-20-13/h3-5,9,17H,6-7H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol has a molecular weight of 293.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol is sourced from PubChem (CID 3718178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).