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

C14H8F3N3OS — CID 43953194

IUPAC2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccc(F)cc2s1)c1c(F)cccc1F
InChIInChI=1S/C14H8F3N3OS/c15-7-4-5-10-11(6-7)22-14(18-10)20-19-13(21)12-8(16)2-1-3-9(12)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyBLEJJBOWVOLSHX-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.47
Rot. Bonds3

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

2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 43953194) has the molecular formula C14H8F3N3OS and a molecular weight of 323.30 g/mol. Its IUPAC name is 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID43953194
Molecular FormulaC14H8F3N3OS
Molecular Weight323.30 g/mol
Exact Mass323.03
IUPAC Name2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccc(F)cc2s1)c1c(F)cccc1F
InChIInChI=1S/C14H8F3N3OS/c15-7-4-5-10-11(6-7)22-14(18-10)20-19-13(21)12-8(16)2-1-3-9(12)17/h1-6H,(H,18,20)(H,19,21)
InChIKeyBLEJJBOWVOLSHX-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
CID 167897163
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide (CID 43953194) is 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide is O=C(NNc1nc2ccc(F)cc2s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is BLEJJBOWVOLSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3OS/c15-7-4-5-10-11(6-7)22-14(18-10)20-19-13(21)12-8(16)2-1-3-9(12)17/h1-6H,(H,18,20)(H,19,21).
What are the key properties of 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 323.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 43953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).