2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

C15H11F2N3O2S — CID 7105549

IUPAC2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C15H11F2N3O2S/c1-22-10-6-3-7-11-13(10)18-15(23-11)20-19-14(21)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyYBZHULPXNHZQDB-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.34
Rot. Bonds4

About 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 7105549) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID7105549
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCOc1cccc2sc(NNC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C15H11F2N3O2S/c1-22-10-6-3-7-11-13(10)18-15(23-11)20-19-14(21)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyYBZHULPXNHZQDB-UHFFFAOYSA-N
XLogP3.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.34
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
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
N'-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carbohydrazide
CID 43953096
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 7105549) is 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is COc1cccc2sc(NNC(=O)c3c(F)cccc3F)nc12.
What is the InChIKey of 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is YBZHULPXNHZQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-22-10-6-3-7-11-13(10)18-15(23-11)20-19-14(21)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 335.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 7105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).