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

C21H18F3N3O3S — CID 55516245

IUPAC4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1
InChIInChI=1S/C21H18F3N3O3S/c1-12-4-3-5-16(10-12)30-11-17(28)26-27-19(29)18-13(2)25-20(31-18)14-6-8-15(9-7-14)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOEBYNDPTTDQQGD-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.29
Rot. Bonds5

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

4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 55516245) has the molecular formula C21H18F3N3O3S and a molecular weight of 449.45 g/mol. Its IUPAC name is 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
PubChem CID55516245
Molecular FormulaC21H18F3N3O3S
Molecular Weight449.45 g/mol
Exact Mass449.10
IUPAC Name4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1
InChIInChI=1S/C21H18F3N3O3S/c1-12-4-3-5-16(10-12)30-11-17(28)26-27-19(29)18-13(2)25-20(31-18)14-6-8-15(9-7-14)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOEBYNDPTTDQQGD-UHFFFAOYSA-N
XLogP4.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 24514098
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78858497
3-methyl-N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 25439163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (CID 55516245) is 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1.
What is the InChIKey of 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is OEBYNDPTTDQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3S/c1-12-4-3-5-16(10-12)30-11-17(28)26-27-19(29)18-13(2)25-20(31-18)14-6-8-15(9-7-14)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 449.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55516245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).