5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

C16H20N2O2S — CID 63576843

IUPAC5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NN)s2)ccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-10(2)14-6-4-12(8-11(14)3)20-9-13-5-7-15(21-13)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyBPTIKDXBTXXFHO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.36
Rot. Bonds5

About 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide

5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63576843) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63576843
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCc1cc(OCc2ccc(C(=O)NN)s2)ccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-10(2)14-6-4-12(8-11(14)3)20-9-13-5-7-15(21-13)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyBPTIKDXBTXXFHO-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-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
5-[[4-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 115496156
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
CID 112709148
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24526591
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479375
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide (CID 63576843) is 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is Cc1cc(OCc2ccc(C(=O)NN)s2)ccc1C(C)C.
What is the InChIKey of 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is BPTIKDXBTXXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10(2)14-6-4-12(8-11(14)3)20-9-13-5-7-15(21-13)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19).
What are the key properties of 5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide?
5-[(3-methyl-4-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-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63576843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).