4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide

C22H23N3O3S — CID 9418645

IUPAC4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cc(C)c(OCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-13-10-14(2)19(15(3)11-13)28-12-18(26)24-25-21(27)20-16(4)23-22(29-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYLCIYJHWITVWAJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.88
Rot. Bonds5

About 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide

4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 9418645) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
PubChem CID9418645
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cc(C)c(OCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-13-10-14(2)19(15(3)11-13)28-12-18(26)24-25-21(27)20-16(4)23-22(29-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyYLCIYJHWITVWAJ-UHFFFAOYSA-N
XLogP3.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.88
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

4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 24514098
N'-[2-(3-fluorophenyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418648
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
3-methyl-N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 25439163
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55516245
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160970
tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9161034
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide (CID 9418645) is 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide is Cc1cc(C)c(OCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1.
What is the InChIKey of 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is YLCIYJHWITVWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13-10-14(2)19(15(3)11-13)28-12-18(26)24-25-21(27)20-16(4)23-22(29-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 409.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9418645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).