2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide

C16H20N4O2S — CID 142087710

IUPAC2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCO/N=C(/C)c1cccc(CC(=O)Nc2nc(CC)ns2)c1
InChIInChI=1S/C16H20N4O2S/c1-4-14-17-16(23-20-14)18-15(21)10-12-7-6-8-13(9-12)11(3)19-22-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,18,20,21)/b19-11-
InChIKeyOUZYWYLXGYMJJN-ODLFYWEKSA-N
MW332.43 g/mol
LogP3.04
Rot. Bonds7

About 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide

2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 142087710) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID142087710
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCO/N=C(/C)c1cccc(CC(=O)Nc2nc(CC)ns2)c1
InChIInChI=1S/C16H20N4O2S/c1-4-14-17-16(23-20-14)18-15(21)10-12-7-6-8-13(9-12)11(3)19-22-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,18,20,21)/b19-11-
InChIKeyOUZYWYLXGYMJJN-ODLFYWEKSA-N
XLogP3.04
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.04
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

2-(3-ethanimidoylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide;methanol
CID 142087763
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 42924877
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133358278
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
ethyl 3-[[(E)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethylideneamino]oxymethyl]benzoate
CID 176657370
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
methyl 2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458502
N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
CID 167839111
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide (CID 142087710) is 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide is CCO/N=C(/C)c1cccc(CC(=O)Nc2nc(CC)ns2)c1.
What is the InChIKey of 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is OUZYWYLXGYMJJN-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-14-17-16(23-20-14)18-15(21)10-12-7-6-8-13(9-12)11(3)19-22-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,18,20,21)/b19-11-.
What are the key properties of 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide?
2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 142087710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).