1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol

C18H19F2NO3S2 — CID 87067868

IUPAC1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
SMILESCCc1c(C)sc2c1C(O)=C(c1ccccc1C)S(=O)(=O)N2CC(F)F
InChIInChI=1S/C18H19F2NO3S2/c1-4-12-11(3)25-18-15(12)16(22)17(13-8-6-5-7-10(13)2)26(23,24)21(18)9-14(19)20/h5-8,14,22H,4,9H2,1-3H3
InChIKeyJQVCZOCMTNBWNY-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.73
Rot. Bonds4

About 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol

1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol (PubChem CID 87067868) has the molecular formula C18H19F2NO3S2 and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
PubChem CID87067868
Molecular FormulaC18H19F2NO3S2
Molecular Weight399.48 g/mol
Exact Mass399.08
IUPAC Name1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
SMILESCCc1c(C)sc2c1C(O)=C(c1ccccc1C)S(=O)(=O)N2CC(F)F
InChIInChI=1S/C18H19F2NO3S2/c1-4-12-11(3)25-18-15(12)16(22)17(13-8-6-5-7-10(13)2)26(23,24)21(18)9-14(19)20/h5-8,14,22H,4,9H2,1-3H3
InChIKeyJQVCZOCMTNBWNY-UHFFFAOYSA-N
XLogP4.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol (CID 87067868) is 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol is CCc1c(C)sc2c1C(O)=C(c1ccccc1C)S(=O)(=O)N2CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The InChIKey is JQVCZOCMTNBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S2/c1-4-12-11(3)25-18-15(12)16(22)17(13-8-6-5-7-10(13)2)26(23,24)21(18)9-14(19)20/h5-8,14,22H,4,9H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol has a molecular weight of 399.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-ethyl-6-methyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol is sourced from PubChem (CID 87067868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).