N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide

C21H20FN3O3S — CID 27568985

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H20FN3O3S/c1-13-6-7-14(2)18(8-13)28-11-20(27)25-24-19(26)10-17-12-29-21(23-17)15-4-3-5-16(22)9-15/h3-9,12H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDDNUFBRDSPSSRM-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.33
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide (PubChem CID 27568985) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
PubChem CID27568985
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H20FN3O3S/c1-13-6-7-14(2)18(8-13)28-11-20(27)25-24-19(26)10-17-12-29-21(23-17)15-4-3-5-16(22)9-15/h3-9,12H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDDNUFBRDSPSSRM-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.33
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-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 35001469
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
CID 35819755
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide (CID 27568985) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2csc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide?
The InChIKey is DDNUFBRDSPSSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-13-6-7-14(2)18(8-13)28-11-20(27)25-24-19(26)10-17-12-29-21(23-17)15-4-3-5-16(22)9-15/h3-9,12H,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide has a molecular weight of 413.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide is sourced from PubChem (CID 27568985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).