5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol

C11H14N2O5S — CID 91282673

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol
SMILESCOc1ccc(CN2C(O)=CNS2(=O)=O)c(OC)c1
InChIInChI=1S/C11H14N2O5S/c1-17-9-4-3-8(10(5-9)18-2)7-13-11(14)6-12-19(13,15)16/h3-6,12,14H,7H2,1-2H3
InChIKeyXVVFZDFNDPGULV-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.71
Rot. Bonds4

About 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol

5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol (PubChem CID 91282673) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol
PubChem CID91282673
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol
SMILESCOc1ccc(CN2C(O)=CNS2(=O)=O)c(OC)c1
InChIInChI=1S/C11H14N2O5S/c1-17-9-4-3-8(10(5-9)18-2)7-13-11(14)6-12-19(13,15)16/h3-6,12,14H,7H2,1-2H3
InChIKeyXVVFZDFNDPGULV-UHFFFAOYSA-N
XLogP0.71
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
5-[[5-[(2,4-dimethoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]methyl]thiophene-2-carboxylic acid
CID 67139805
1-[5-[[5-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-1,1-dioxo-1,2,5-thiadiazol-2-yl]methyl]thiophen-2-yl]-4-methylpentan-1-one
CID 90728900
2-[[4-(bromomethyl)phenyl]methyl]-5-[(2,4-dimethoxyphenyl)methyl]-1,2,5-thiadiazole 1,1-dioxide
CID 141076615
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-3-methylazetidin-2-one
CID 118485372
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol (CID 91282673) is 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol is COc1ccc(CN2C(O)=CNS2(=O)=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol?
The InChIKey is XVVFZDFNDPGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-17-9-4-3-8(10(5-9)18-2)7-13-11(14)6-12-19(13,15)16/h3-6,12,14H,7H2,1-2H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol?
5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol has a molecular weight of 286.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxo-2H-1,2,5-thiadiazol-4-ol is sourced from PubChem (CID 91282673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).