4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide

C15H13FN4OS — CID 91680520

IUPAC4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc2sc(NN)nc12
InChIInChI=1S/C15H13FN4OS/c1-8-6-11(7-12-13(8)19-15(20-17)22-12)18-14(21)9-2-4-10(16)5-3-9/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZEMULFKRKGOSPX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.28
Rot. Bonds3

About 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide

4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 91680520) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID91680520
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)cc2sc(NN)nc12
InChIInChI=1S/C15H13FN4OS/c1-8-6-11(7-12-13(8)19-15(20-17)22-12)18-14(21)9-2-4-10(16)5-3-9/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZEMULFKRKGOSPX-UHFFFAOYSA-N
XLogP3.28
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide (CID 91680520) is 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)cc2)cc2sc(NN)nc12.
What is the InChIKey of 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is ZEMULFKRKGOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-8-6-11(7-12-13(8)19-15(20-17)22-12)18-14(21)9-2-4-10(16)5-3-9/h2-7H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide?
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 91680520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).