5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide

C15H18N2O2S — CID 63576610

IUPAC5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NN)s2)c1C
InChIInChI=1S/C15H18N2O2S/c1-9-4-5-10(2)14(11(9)3)19-8-12-6-7-13(20-12)15(18)17-16/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyNPLZAILFRSTNJT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.86
Rot. Bonds4

About 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide

5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63576610) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63576610
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NN)s2)c1C
InChIInChI=1S/C15H18N2O2S/c1-9-4-5-10(2)14(11(9)3)19-8-12-6-7-13(20-12)15(18)17-16/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyNPLZAILFRSTNJT-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 115496156
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575117
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide (CID 63576610) is 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide is Cc1ccc(C)c(OCc2ccc(C(=O)NN)s2)c1C.
What is the InChIKey of 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is NPLZAILFRSTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-4-5-10(2)14(11(9)3)19-8-12-6-7-13(20-12)15(18)17-16/h4-7H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide?
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 290.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63576610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).