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

C19H16FN3O2S — CID 123654254

IUPAC2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2sc(-c3ccccc3F)nc2C)cc1
InChIInChI=1S/C19H16FN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)18(24)23-21-11-13-7-9-14(25-2)10-8-13/h3-11H,1-2H3,(H,23,24)
InChIKeyRGSMLOPLTOJMCQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.03
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 123654254) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID123654254
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2sc(-c3ccccc3F)nc2C)cc1
InChIInChI=1S/C19H16FN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)18(24)23-21-11-13-7-9-14(25-2)10-8-13/h3-11H,1-2H3,(H,23,24)
InChIKeyRGSMLOPLTOJMCQ-UHFFFAOYSA-N
XLogP4.03
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.03
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

2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 123351287
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 136508307
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339735
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
2-(4-chloro-2-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136508352
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 89469976
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 89469656
2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 42271197
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-2-(2-nitrosophenyl)-1,3-thiazole-5-carboxamide
CID 137296420
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 123654254) is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(C=NNC(=O)c2sc(-c3ccccc3F)nc2C)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RGSMLOPLTOJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)18(24)23-21-11-13-7-9-14(25-2)10-8-13/h3-11H,1-2H3,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).