2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide

C19H16Cl3N3O2S — CID 27895579

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCc1ccc(OCc2nc(CC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H16Cl3N3O2S/c1-11-2-4-14(5-3-11)27-9-18-23-13(10-28-18)8-17(26)24-25-19-15(21)6-12(20)7-16(19)22/h2-7,10,25H,8-9H2,1H3,(H,24,26)
InChIKeyUZZUDVRMCKUXJO-UHFFFAOYSA-N
MW456.78 g/mol
LogP5.68
Rot. Bonds7

About 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 27895579) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID27895579
Molecular FormulaC19H16Cl3N3O2S
Molecular Weight456.78 g/mol
Exact Mass455.00
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCc1ccc(OCc2nc(CC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C19H16Cl3N3O2S/c1-11-2-4-14(5-3-11)27-9-18-23-13(10-28-18)8-17(26)24-25-19-15(21)6-12(20)7-16(19)22/h2-7,10,25H,8-9H2,1H3,(H,24,26)
InChIKeyUZZUDVRMCKUXJO-UHFFFAOYSA-N
XLogP5.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 55.68
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

N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 27872219
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 27895579) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide is Cc1ccc(OCc2nc(CC(=O)NNc3c(Cl)cc(Cl)cc3Cl)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is UZZUDVRMCKUXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c1-11-2-4-14(5-3-11)27-9-18-23-13(10-28-18)8-17(26)24-25-19-15(21)6-12(20)7-16(19)22/h2-7,10,25H,8-9H2,1H3,(H,24,26).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 456.78 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 27895579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).