5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

C16H20N2O2S — CID 63575986

IUPAC5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)NN)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-10(2)13-6-4-11(3)8-14(13)20-9-12-5-7-15(21-12)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyJPRLPFBHUCKCTJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.36
Rot. Bonds5

About 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63575986) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63575986
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)NN)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-10(2)13-6-4-11(3)8-14(13)20-9-12-5-7-15(21-12)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyJPRLPFBHUCKCTJ-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.36
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-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620547
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63650136
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998
5-[(2-tert-butyl-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416216

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (CID 63575986) is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN)s2)c1.
What is the InChIKey of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is JPRLPFBHUCKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10(2)13-6-4-11(3)8-14(13)20-9-12-5-7-15(21-12)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19).
What are the key properties of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 304.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63575986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).