6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol

C15H14F3N3O3S — CID 66600095

IUPAC6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol
SMILESCc1ccccc1C1=C(O)c2cn(C)nc2N(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H14F3N3O3S/c1-9-5-3-4-6-10(9)13-12(22)11-7-20(2)19-14(11)21(25(13,23)24)8-15(16,17)18/h3-7,22H,8H2,1-2H3
InChIKeyTUIQGHZDLWFJCP-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.82
Rot. Bonds2

About 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol

6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol (PubChem CID 66600095) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol.

Molecular Properties

Compound Name6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol
PubChem CID66600095
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol
SMILESCc1ccccc1C1=C(O)c2cn(C)nc2N(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H14F3N3O3S/c1-9-5-3-4-6-10(9)13-12(22)11-7-20(2)19-14(11)21(25(13,23)24)8-15(16,17)18/h3-7,22H,8H2,1-2H3
InChIKeyTUIQGHZDLWFJCP-UHFFFAOYSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol?
The IUPAC name of 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol (CID 66600095) is 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol.
What is the SMILES notation for 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol?
The canonical SMILES for 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol is Cc1ccccc1C1=C(O)c2cn(C)nc2N(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol?
The InChIKey is TUIQGHZDLWFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-9-5-3-4-6-10(9)13-12(22)11-7-20(2)19-14(11)21(25(13,23)24)8-15(16,17)18/h3-7,22H,8H2,1-2H3.
What are the key properties of 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol?
6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol has a molecular weight of 373.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]thiazin-4-ol is sourced from PubChem (CID 66600095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).