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

C15H12F3NO3S2 — CID 66600064

IUPAC3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol
SMILESCc1ccccc1C1=C(O)c2sccc2N(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H12F3NO3S2/c1-9-4-2-3-5-10(9)14-12(20)13-11(6-7-23-13)19(24(14,21)22)8-15(16,17)18/h2-7,20H,8H2,1H3
InChIKeyPBJCCDVOVPMDGV-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.15
Rot. Bonds2

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

3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol (PubChem CID 66600064) has the molecular formula C15H12F3NO3S2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol
PubChem CID66600064
Molecular FormulaC15H12F3NO3S2
Molecular Weight375.39 g/mol
Exact Mass375.02
IUPAC Name3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol
SMILESCc1ccccc1C1=C(O)c2sccc2N(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C15H12F3NO3S2/c1-9-4-2-3-5-10(9)14-12(20)13-11(6-7-23-13)19(24(14,21)22)8-15(16,17)18/h2-7,20H,8H2,1H3
InChIKeyPBJCCDVOVPMDGV-UHFFFAOYSA-N
XLogP4.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol?
The IUPAC name of 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol (CID 66600064) is 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol.
What is the SMILES notation for 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol?
The canonical SMILES for 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol is Cc1ccccc1C1=C(O)c2sccc2N(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol?
The InChIKey is PBJCCDVOVPMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S2/c1-9-4-2-3-5-10(9)14-12(20)13-11(6-7-23-13)19(24(14,21)22)8-15(16,17)18/h2-7,20H,8H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol?
3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol has a molecular weight of 375.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2,2-dioxo-1-(2,2,2-trifluoroethyl)thieno[3,2-c]thiazin-4-ol is sourced from PubChem (CID 66600064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).