5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide

C14H13N3O3S — CID 63575117

IUPAC5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCOc1cc(C#N)ccc1OCc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H13N3O3S/c1-19-12-6-9(7-15)2-4-11(12)20-8-10-3-5-13(21-10)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyUCLPLFMVUOSDAY-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.81
Rot. Bonds5

About 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide

5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 63575117) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID63575117
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
SMILESCOc1cc(C#N)ccc1OCc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H13N3O3S/c1-19-12-6-9(7-15)2-4-11(12)20-8-10-3-5-13(21-10)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyUCLPLFMVUOSDAY-UHFFFAOYSA-N
XLogP1.81
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-cyano-2-ethoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 63380398
5-[(3-chloro-2-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 114323992
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
5-[(3-cyano-5-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 103566249
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide (CID 63575117) is 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide is COc1cc(C#N)ccc1OCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is UCLPLFMVUOSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-19-12-6-9(7-15)2-4-11(12)20-8-10-3-5-13(21-10)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18).
What are the key properties of 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide?
5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 303.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63575117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).