4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide

C16H15FN4OS — CID 50880132

IUPAC4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4OS/c1-8-7-12-14(23-16(19-12)21-18)9(2)13(8)20-15(22)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYEMSSJLELAOOMP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.59
Rot. Bonds3

About 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide

4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 50880132) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID50880132
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4OS/c1-8-7-12-14(23-16(19-12)21-18)9(2)13(8)20-15(22)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYEMSSJLELAOOMP-UHFFFAOYSA-N
XLogP3.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.59
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-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide (CID 50880132) is 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide is Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is YEMSSJLELAOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-8-7-12-14(23-16(19-12)21-18)9(2)13(8)20-15(22)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide?
4-fluoro-N-(2-hydrazinyl-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.59, 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-5,7-dimethyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 50880132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).