2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol

C14H18N4O2S — CID 142087763

IUPAC2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol
SMILESCO.[H]/N=C(\C)c1cccc(CC(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C13H14N4OS.CH4O/c1-8(14)11-5-3-4-10(6-11)7-12(18)16-13-15-9(2)17-19-13;1-2/h3-6,14H,7H2,1-2H3,(H,15,16,17,18);2H,1H3/b14-8+;
InChIKeyZZACYYKFCWYNSD-XHIXCECLSA-N
MW306.39 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol

2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol (PubChem CID 142087763) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol.

Molecular Properties

Compound Name2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol
PubChem CID142087763
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol
SMILESCO.[H]/N=C(\C)c1cccc(CC(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C13H14N4OS.CH4O/c1-8(14)11-5-3-4-10(6-11)7-12(18)16-13-15-9(2)17-19-13;1-2/h3-6,14H,7H2,1-2H3,(H,15,16,17,18);2H,1H3/b14-8+;
InChIKeyZZACYYKFCWYNSD-XHIXCECLSA-N
XLogP2.02
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol?
The IUPAC name of 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol (CID 142087763) is 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol.
What is the SMILES notation for 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol?
The canonical SMILES for 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol is CO.[H]/N=C(\C)c1cccc(CC(=O)Nc2nc(C)ns2)c1.
What is the InChIKey of 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol?
The InChIKey is ZZACYYKFCWYNSD-XHIXCECLSA-N. The full InChI is InChI=1S/C13H14N4OS.CH4O/c1-8(14)11-5-3-4-10(6-11)7-12(18)16-13-15-9(2)17-19-13;1-2/h3-6,14H,7H2,1-2H3,(H,15,16,17,18);2H,1H3/b14-8+;.
What are the key properties of 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol?
2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol has a molecular weight of 306.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol is sourced from PubChem (CID 142087763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).