5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide

C15H18N2O3S — CID 63575058

IUPAC5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
SMILESCOCCc1ccc(OCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C15H18N2O3S/c1-19-9-8-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(18)17-16/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyQCZMJVFKFVTYJW-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.12
Rot. Bonds7

About 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide

5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide (PubChem CID 63575058) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
PubChem CID63575058
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
SMILESCOCCc1ccc(OCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C15H18N2O3S/c1-19-9-8-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(18)17-16/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyQCZMJVFKFVTYJW-UHFFFAOYSA-N
XLogP2.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-oxopropyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 115496156
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
5-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 102724829
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413943
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081
5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63855802
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
CID 62269033
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide (CID 63575058) is 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide is COCCc1ccc(OCc2ccc(C(=O)NN)s2)cc1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide?
The InChIKey is QCZMJVFKFVTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-9-8-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(18)17-16/h2-7H,8-10,16H2,1H3,(H,17,18).
What are the key properties of 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide?
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide has a molecular weight of 306.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63575058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).