methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate

C14H13FN2O5S — CID 54684966

IUPACmethyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
SMILESCOC(=O)C1=C(O)c2c(c3cccc(F)c3n2C)S(=O)(=O)N1C
InChIInChI=1S/C14H13FN2O5S/c1-16-9-7(5-4-6-8(9)15)13-10(16)12(18)11(14(19)22-3)17(2)23(13,20)21/h4-6,18H,1-3H3
InChIKeyIABVZHXVBACSBM-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.35
Rot. Bonds1

About methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate

methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate (PubChem CID 54684966) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
PubChem CID54684966
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Namemethyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
SMILESCOC(=O)C1=C(O)c2c(c3cccc(F)c3n2C)S(=O)(=O)N1C
InChIInChI=1S/C14H13FN2O5S/c1-16-9-7(5-4-6-8(9)15)13-10(16)12(18)11(14(19)22-3)17(2)23(13,20)21/h4-6,18H,1-3H3
InChIKeyIABVZHXVBACSBM-UHFFFAOYSA-N
XLogP1.35
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate?
The IUPAC name of methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate (CID 54684966) is methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate is COC(=O)C1=C(O)c2c(c3cccc(F)c3n2C)S(=O)(=O)N1C.
What is the InChIKey of methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate?
The InChIKey is IABVZHXVBACSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c1-16-9-7(5-4-6-8(9)15)13-10(16)12(18)11(14(19)22-3)17(2)23(13,20)21/h4-6,18H,1-3H3.
What are the key properties of methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate?
methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate is sourced from PubChem (CID 54684966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).