2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

C11H10ClN3O2S — CID 2743890

IUPAC2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3O2S/c12-7-3-1-2-4-9(7)17-5-10-14-8(6-18-10)11(16)15-13/h1-4,6H,5,13H2,(H,15,16)
InChIKeyCKXJAAMWMODSSP-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.98
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2743890) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2743890
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3O2S/c12-7-3-1-2-4-9(7)17-5-10-14-8(6-18-10)11(16)15-13/h1-4,6H,5,13H2,(H,15,16)
InChIKeyCKXJAAMWMODSSP-UHFFFAOYSA-N
XLogP1.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (CID 2743890) is 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(COc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is CKXJAAMWMODSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-7-3-1-2-4-9(7)17-5-10-14-8(6-18-10)11(16)15-13/h1-4,6H,5,13H2,(H,15,16).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 283.74 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).