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

C19H16FN3O2S — CID 89459898

IUPAC2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=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)/b21-11+
InChIKeyRGSMLOPLTOJMCQ-SRZZPIQSSA-N
MW369.42 g/mol
LogP4.03
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 89459898) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID89459898
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=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)/b21-11+
InChIKeyRGSMLOPLTOJMCQ-SRZZPIQSSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 89459898) is 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2sc(-c3ccccc3F)nc2C)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RGSMLOPLTOJMCQ-SRZZPIQSSA-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)/b21-11+.
What are the key properties of 2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[(E)-(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-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89459898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).