2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide

C16H9ClF4N4OS — CID 118064642

IUPAC2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
SMILESO=C(NNc1ccc(F)nc1)c1sc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N4OS/c17-9-3-1-8(2-4-9)15-23-13(16(19,20)21)12(27-15)14(26)25-24-10-5-6-11(18)22-7-10/h1-7,24H,(H,25,26)
InChIKeyGWEXWLYAKGFHER-UHFFFAOYSA-N
MW416.79 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide

2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 118064642) has the molecular formula C16H9ClF4N4OS and a molecular weight of 416.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
PubChem CID118064642
Molecular FormulaC16H9ClF4N4OS
Molecular Weight416.79 g/mol
Exact Mass416.01
IUPAC Name2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
SMILESO=C(NNc1ccc(F)nc1)c1sc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N4OS/c17-9-3-1-8(2-4-9)15-23-13(16(19,20)21)12(27-15)14(26)25-24-10-5-6-11(18)22-7-10/h1-7,24H,(H,25,26)
InChIKeyGWEXWLYAKGFHER-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.79
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide (CID 118064642) is 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide is O=C(NNc1ccc(F)nc1)c1sc(-c2ccc(Cl)cc2)nc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is GWEXWLYAKGFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N4OS/c17-9-3-1-8(2-4-9)15-23-13(16(19,20)21)12(27-15)14(26)25-24-10-5-6-11(18)22-7-10/h1-7,24H,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide?
2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 416.79 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 118064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).