7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

C12H9N3O2S — CID 5306841

IUPAC7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESCOc1ccc(-c2cc(=O)n3cnnc3s2)cc1
InChIInChI=1S/C12H9N3O2S/c1-17-9-4-2-8(3-5-9)10-6-11(16)15-7-13-14-12(15)18-10/h2-7H,1H3
InChIKeyYTNRASJKLARXOB-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.83
Rot. Bonds2

About 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (PubChem CID 5306841) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
PubChem CID5306841
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESCOc1ccc(-c2cc(=O)n3cnnc3s2)cc1
InChIInChI=1S/C12H9N3O2S/c1-17-9-4-2-8(3-5-9)10-6-11(16)15-7-13-14-12(15)18-10/h2-7H,1H3
InChIKeyYTNRASJKLARXOB-UHFFFAOYSA-N
XLogP1.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
(5Z)-2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6156290
4-[8-(4-methoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-ylidene]-3-(4-methylphenyl)oxadiazol-3-ium-5-one
CID 135455689
(4E)-4-[8-(4-methoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-ylidene]-3-(4-methylphenyl)oxadiazol-3-ium-5-one
CID 135839288
2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one
CID 11187254
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
2-(4-methoxyphenyl)thieno[3,2-e][1]benzothiole-7-carbaldehyde
CID 102590208
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137309109

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (CID 5306841) is 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is COc1ccc(-c2cc(=O)n3cnnc3s2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The InChIKey is YTNRASJKLARXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-17-9-4-2-8(3-5-9)10-6-11(16)15-7-13-14-12(15)18-10/h2-7H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one has a molecular weight of 259.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is sourced from PubChem (CID 5306841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).