N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide

C16H14FN3OS — CID 4248363

IUPACN'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
SMILESCc1ccc2sc(NNC(=O)c3ccc(F)cc3)nc2c1C
InChIInChI=1S/C16H14FN3OS/c1-9-3-8-13-14(10(9)2)18-16(22-13)20-19-15(21)11-4-6-12(17)7-5-11/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDPUPXZODLFEGQF-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.81
Rot. Bonds3

About N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide

N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide (PubChem CID 4248363) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
PubChem CID4248363
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC NameN'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
SMILESCc1ccc2sc(NNC(=O)c3ccc(F)cc3)nc2c1C
InChIInChI=1S/C16H14FN3OS/c1-9-3-8-13-14(10(9)2)18-16(22-13)20-19-15(21)11-4-6-12(17)7-5-11/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDPUPXZODLFEGQF-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.81
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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Related Compounds

4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 7600262
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043754
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043752
[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]thiourea
CID 30032207
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 19213635
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
CID 19213615
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide (CID 4248363) is N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide is Cc1ccc2sc(NNC(=O)c3ccc(F)cc3)nc2c1C.
What is the InChIKey of N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide?
The InChIKey is DPUPXZODLFEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-9-3-8-13-14(10(9)2)18-16(22-13)20-19-15(21)11-4-6-12(17)7-5-11/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide?
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide has a molecular weight of 315.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide is sourced from PubChem (CID 4248363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).