3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

C15H12FN3O2S — CID 7105535

IUPAC3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12
InChIInChI=1S/C15H12FN3O2S/c1-21-11-6-3-7-12-13(11)17-15(22-12)19-18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyPEYXWGDETQENCK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.20
Rot. Bonds4

About 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 7105535) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID7105535
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12
InChIInChI=1S/C15H12FN3O2S/c1-21-11-6-3-7-12-13(11)17-15(22-12)19-18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyPEYXWGDETQENCK-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.20
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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Related Compounds

4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
CID 43953096
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 7105535) is 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12.
What is the InChIKey of 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is PEYXWGDETQENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-21-11-6-3-7-12-13(11)17-15(22-12)19-18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 317.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 7105535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).