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

C17H19NO3S2 — CID 66600094

IUPAC1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
SMILESCCN1c2sc(C)c(C)c2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C17H19NO3S2/c1-5-18-17-14(11(3)12(4)22-17)15(19)16(23(18,20)21)13-9-7-6-8-10(13)2/h6-9,19H,5H2,1-4H3
InChIKeyCTUGDOYMYRHZHB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.23
Rot. Bonds2

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

1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol (PubChem CID 66600094) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol.

Molecular Properties

Compound Name1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
PubChem CID66600094
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
SMILESCCN1c2sc(C)c(C)c2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C17H19NO3S2/c1-5-18-17-14(11(3)12(4)22-17)15(19)16(23(18,20)21)13-9-7-6-8-10(13)2/h6-9,19H,5H2,1-4H3
InChIKeyCTUGDOYMYRHZHB-UHFFFAOYSA-N
XLogP4.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The IUPAC name of 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol (CID 66600094) is 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol.
What is the SMILES notation for 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The canonical SMILES for 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol is CCN1c2sc(C)c(C)c2C(O)=C(c2ccccc2C)S1(=O)=O.
What is the InChIKey of 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
The InChIKey is CTUGDOYMYRHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-5-18-17-14(11(3)12(4)22-17)15(19)16(23(18,20)21)13-9-7-6-8-10(13)2/h6-9,19H,5H2,1-4H3.
What are the key properties of 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol?
1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol has a molecular weight of 349.48 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol is sourced from PubChem (CID 66600094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).