N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

C19H15F2N3OS — CID 8871654

IUPACN-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C19H15F2N3OS/c1-2-12-3-5-13(6-4-12)19-23-17(11-26-19)18(25)24-22-10-14-7-8-15(20)9-16(14)21/h3-11H,2H2,1H3,(H,24,25)/b22-10-
InChIKeyITNUKDKISAOHLZ-YVNNLAQVSA-N
MW371.41 g/mol
LogP4.41
Rot. Bonds5

About N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 8871654) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID8871654
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC NameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C19H15F2N3OS/c1-2-12-3-5-13(6-4-12)19-23-17(11-26-19)18(25)24-22-10-14-7-8-15(20)9-16(14)21/h3-11H,2H2,1H3,(H,24,25)/b22-10-
InChIKeyITNUKDKISAOHLZ-YVNNLAQVSA-N
XLogP4.41
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 8871536
2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 8871485
2-(4-ethylphenyl)-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 8871648
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
2-(4-ethylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-4-carboxamide
CID 135776908
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 8871654) is N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ITNUKDKISAOHLZ-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H15F2N3OS/c1-2-12-3-5-13(6-4-12)19-23-17(11-26-19)18(25)24-22-10-14-7-8-15(20)9-16(14)21/h3-11H,2H2,1H3,(H,24,25)/b22-10-.
What are the key properties of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 8871654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).