2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide

C12H12ClN3O2S — CID 82424014

IUPAC2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(CCOc2ccccc2Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-8-3-1-2-4-9(8)18-6-5-11-15-7-10(19-11)12(17)16-14/h1-4,7H,5-6,14H2,(H,16,17)
InChIKeyRYGXREZEONULBP-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide

2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82424014) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82424014
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(CCOc2ccccc2Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-8-3-1-2-4-9(8)18-6-5-11-15-7-10(19-11)12(17)16-14/h1-4,7H,5-6,14H2,(H,16,17)
InChIKeyRYGXREZEONULBP-UHFFFAOYSA-N
XLogP2.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.02
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

2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423897
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422860
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423853
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422835
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (CID 82424014) is 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is NNC(=O)c1cnc(CCOc2ccccc2Cl)s1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is RYGXREZEONULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-8-3-1-2-4-9(8)18-6-5-11-15-7-10(19-11)12(17)16-14/h1-4,7H,5-6,14H2,(H,16,17).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 297.77 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82424014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).