N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

C12H12N4O2S — CID 4109418

IUPACN-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H12N4O2S/c1-8-11(19-16-14-8)12(17)15-13-7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,17)
InChIKeyODEKJIOOGHCZFM-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.62
Rot. Bonds4

About N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 4109418) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID4109418
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H12N4O2S/c1-8-11(19-16-14-8)12(17)15-13-7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,17)
InChIKeyODEKJIOOGHCZFM-UHFFFAOYSA-N
XLogP1.62
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6000143
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 146025242
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 136663475
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4055872
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 4109418) is N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is COc1ccc(C=NNC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is ODEKJIOOGHCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-11(19-16-14-8)12(17)15-13-7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 4109418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).