2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide

C19H15ClFN3O3S — CID 24514627

IUPAC2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O3S/c1-11(27-16-5-3-2-4-14(16)21)17(25)23-24-18(26)15-10-28-19(22-15)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyYSNMZHGQALSUMG-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide

2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 24514627) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
PubChem CID24514627
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClFN3O3S/c1-11(27-16-5-3-2-4-14(16)21)17(25)23-24-18(26)15-10-28-19(22-15)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyYSNMZHGQALSUMG-UHFFFAOYSA-N
XLogP3.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide (CID 24514627) is 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is YSNMZHGQALSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-11(27-16-5-3-2-4-14(16)21)17(25)23-24-18(26)15-10-28-19(22-15)12-6-8-13(20)9-7-12/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide?
2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 419.87 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 24514627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).