5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide

C12H11ClN2O2S — CID 55212226

IUPAC5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2Cl)s1
InChIInChI=1S/C12H11ClN2O2S/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyNMVJUCOAKJMZKV-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.58
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide

5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide (PubChem CID 55212226) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
PubChem CID55212226
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2Cl)s1
InChIInChI=1S/C12H11ClN2O2S/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyNMVJUCOAKJMZKV-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.58
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-chloro-2-cyanophenoxy)methyl]thiophene-2-carbohydrazide
CID 114323992
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575986
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575117
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[(2-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 55184546
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide (CID 55212226) is 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(COc2ccccc2Cl)s1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide?
The InChIKey is NMVJUCOAKJMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide?
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide has a molecular weight of 282.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).