5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one

C9H8N2O2S — CID 22378610

IUPAC5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
SMILESCOc1cccc(-c2nc(=O)[nH]s2)c1
InChIInChI=1S/C9H8N2O2S/c1-13-7-4-2-3-6(5-7)8-10-9(12)11-14-8/h2-5H,1H3,(H,11,12)
InChIKeyHYODRCACTQQXFG-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.51
Rot. Bonds2

About 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one

5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one (PubChem CID 22378610) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
PubChem CID22378610
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one
SMILESCOc1cccc(-c2nc(=O)[nH]s2)c1
InChIInChI=1S/C9H8N2O2S/c1-13-7-4-2-3-6(5-7)8-10-9(12)11-14-8/h2-5H,1H3,(H,11,12)
InChIKeyHYODRCACTQQXFG-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82301119
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(3-methoxyphenyl)-6-(trichloromethyl)-1H-1,3,5-triazin-2-one
CID 135704022
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one?
The IUPAC name of 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one (CID 22378610) is 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one?
The canonical SMILES for 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one is COc1cccc(-c2nc(=O)[nH]s2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one?
The InChIKey is HYODRCACTQQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-7-4-2-3-6(5-7)8-10-9(12)11-14-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one?
5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one has a molecular weight of 208.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-one is sourced from PubChem (CID 22378610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).