N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C19H17N3O2S — CID 89469976

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-5-3-4-6-16(13)19-20-12-17(25-19)18(23)22-21-11-14-7-9-15(24-2)10-8-14/h3-12H,1-2H3,(H,22,23)/b21-11+
InChIKeyGDHCADPSJQBKIM-SRZZPIQSSA-N
MW351.43 g/mol
LogP3.89
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 89469976) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID89469976
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-5-3-4-6-16(13)19-20-12-17(25-19)18(23)22-21-11-14-7-9-15(24-2)10-8-14/h3-12H,1-2H3,(H,22,23)/b21-11+
InChIKeyGDHCADPSJQBKIM-SRZZPIQSSA-N
XLogP3.89
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 136508999
N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 136508300
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 41089982
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 89469976) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GDHCADPSJQBKIM-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-5-3-4-6-16(13)19-20-12-17(25-19)18(23)22-21-11-14-7-9-15(24-2)10-8-14/h3-12H,1-2H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89469976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).