4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide

C14H10FN3OS — CID 50850273

IUPAC4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H10FN3OS/c15-10-5-6-11-12(7-10)20-14(17-11)9-3-1-8(2-4-9)13(19)18-16/h1-7H,16H2,(H,18,19)
InChIKeyGLTYNIHSWXLYQE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.71
Rot. Bonds2

About 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide

4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 50850273) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID50850273
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H10FN3OS/c15-10-5-6-11-12(7-10)20-14(17-11)9-3-1-8(2-4-9)13(19)18-16/h1-7H,16H2,(H,18,19)
InChIKeyGLTYNIHSWXLYQE-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 50849830
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
prop-2-ynyl 2-(4-prop-2-ynoxycarbonylphenyl)-1,3-benzothiazole-6-carboxylate
CID 95909734
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
CID 114103523

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide (CID 50850273) is 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide is NNC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is GLTYNIHSWXLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-10-5-6-11-12(7-10)20-14(17-11)9-3-1-8(2-4-9)13(19)18-16/h1-7H,16H2,(H,18,19).
What are the key properties of 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide?
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 287.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 50850273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).