2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide

C20H18F3N3O3S — CID 55414156

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3C(F)(F)F)s2)cc1OC
InChIInChI=1S/C20H18F3N3O3S/c1-11-17(18(27)26-25-14-7-5-4-6-13(14)20(21,22)23)30-19(24-11)12-8-9-15(28-2)16(10-12)29-3/h4-10,25H,1-3H3,(H,26,27)
InChIKeyGKXZGEMRLHAVBF-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.91
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide

2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 55414156) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
PubChem CID55414156
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3C(F)(F)F)s2)cc1OC
InChIInChI=1S/C20H18F3N3O3S/c1-11-17(18(27)26-25-14-7-5-4-6-13(14)20(21,22)23)30-19(24-11)12-8-9-15(28-2)16(10-12)29-3/h4-10,25H,1-3H3,(H,26,27)
InChIKeyGKXZGEMRLHAVBF-UHFFFAOYSA-N
XLogP4.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide 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

2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 27698476
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55514974
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 75269417
N-(3-aminobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119498037
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
2-(3,4-dimethoxyphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55615027

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (CID 55414156) is 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3C(F)(F)F)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is GKXZGEMRLHAVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-11-17(18(27)26-25-14-7-5-4-6-13(14)20(21,22)23)30-19(24-11)12-8-9-15(28-2)16(10-12)29-3/h4-10,25H,1-3H3,(H,26,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 437.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55414156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).