4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide

C17H14FN3OS — CID 25097493

IUPAC4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESCc1sc(NNC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14FN3OS/c1-11-15(12-5-3-2-4-6-12)19-17(23-11)21-20-16(22)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyIIFJGYXHIUEGCI-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.01
Rot. Bonds4

About 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide

4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 25097493) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID25097493
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide
SMILESCc1sc(NNC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14FN3OS/c1-11-15(12-5-3-2-4-6-12)19-17(23-11)21-20-16(22)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyIIFJGYXHIUEGCI-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.01
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'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide (CID 25097493) is 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide is Cc1sc(NNC(=O)c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is IIFJGYXHIUEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-15(12-5-3-2-4-6-12)19-17(23-11)21-20-16(22)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide?
4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 327.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 25097493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).