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

C11H9Cl2N3O2S — CID 63576623

IUPAC4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(3-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyRMBAXSFPDCUNRW-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.63
Rot. Bonds4

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

4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63576623) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63576623
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(3-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyRMBAXSFPDCUNRW-UHFFFAOYSA-N
XLogP2.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.63
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 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 63576623) is 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is RMBAXSFPDCUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-8-2-1-7(3-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 318.19 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63576623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).