N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

C13H14N4O2S — CID 6000143

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-19-11-6-4-10(5-7-11)8-14-16-13(18)12-9(2)15-17-20-12/h4-8H,3H2,1-2H3,(H,16,18)/b14-8-
InChIKeyHFPVPSFQIIOPGX-ZSOIEALJSA-N
MW290.35 g/mol
LogP2.01
Rot. Bonds5

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

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 6000143) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID6000143
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H14N4O2S/c1-3-19-11-6-4-10(5-7-11)8-14-16-13(18)12-9(2)15-17-20-12/h4-8H,3H2,1-2H3,(H,16,18)/b14-8-
InChIKeyHFPVPSFQIIOPGX-ZSOIEALJSA-N
XLogP2.01
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.01
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-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 6000143) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is CCOc1ccc(/C=N\NC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is HFPVPSFQIIOPGX-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-19-11-6-4-10(5-7-11)8-14-16-13(18)12-9(2)15-17-20-12/h4-8H,3H2,1-2H3,(H,16,18)/b14-8-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 6000143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).