4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

C16H12FN3OS — CID 1487639

IUPAC4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)19-20-16-18-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyOSIXPKNHIKVRFE-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.71
Rot. Bonds4

About 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide

4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 1487639) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID1487639
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccccc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)19-20-16-18-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyOSIXPKNHIKVRFE-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide (CID 1487639) is 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is O=C(NNc1nc(-c2ccccc2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is OSIXPKNHIKVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-8-6-12(7-9-13)15(21)19-20-16-18-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21).
What are the key properties of 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 313.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 1487639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).