N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide

C19H17N3O2S — CID 110527260

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-17(21-19(25-13)15-6-4-3-5-7-15)18(23)22-20-12-14-8-10-16(24-2)11-9-14/h3-12H,1-2H3,(H,22,23)/b20-12-
InChIKeyOVGKXPCOGYASRF-NDENLUEZSA-N
MW351.43 g/mol
LogP3.89
Rot. Bonds5

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide

N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110527260) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110527260
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-17(21-19(25-13)15-6-4-3-5-7-15)18(23)22-20-12-14-8-10-16(24-2)11-9-14/h3-12H,1-2H3,(H,22,23)/b20-12-
InChIKeyOVGKXPCOGYASRF-NDENLUEZSA-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

5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide
CID 110527251
N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527345
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 89469656
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-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337589
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 110527260) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)sc2C)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is OVGKXPCOGYASRF-NDENLUEZSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-17(21-19(25-13)15-6-4-3-5-7-15)18(23)22-20-12-14-8-10-16(24-2)11-9-14/h3-12H,1-2H3,(H,22,23)/b20-12-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-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-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110527260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).