4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide

C19H18N4O2S — CID 176908653

IUPAC4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
SMILESC/C(=N\OCc1ccccc1)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C19H18N4O2S/c1-13(22-25-12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20-19(24)18-14(2)21-23-26-18/h3-11H,12H2,1-2H3,(H,20,24)/b22-13+
InChIKeyWUOMFTRUYKGPOG-LPYMAVHISA-N
MW366.45 g/mol
LogP4.04
Rot. Bonds6

About 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide

4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide (PubChem CID 176908653) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
PubChem CID176908653
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
SMILESC/C(=N\OCc1ccccc1)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C19H18N4O2S/c1-13(22-25-12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20-19(24)18-14(2)21-23-26-18/h3-11H,12H2,1-2H3,(H,20,24)/b22-13+
InChIKeyWUOMFTRUYKGPOG-LPYMAVHISA-N
XLogP4.04
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.04
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

N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 21008271
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78775254
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
(E)-N-methoxy-1-(4-methylthiadiazol-5-yl)ethanimine;1-(4-methylthiadiazol-5-yl)ethanone
CID 172952600
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
CID 57396205

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide (CID 176908653) is 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide is C/C(=N\OCc1ccccc1)c1ccccc1NC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is WUOMFTRUYKGPOG-LPYMAVHISA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(22-25-12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20-19(24)18-14(2)21-23-26-18/h3-11H,12H2,1-2H3,(H,20,24)/b22-13+.
What are the key properties of 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 176908653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).