3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H13FN4OS — CID 55100163

IUPAC3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(F)c2NN)s1
InChIInChI=1S/C12H13FN4OS/c1-7-15-5-8(19-7)6-16-12(18)9-3-2-4-10(13)11(9)17-14/h2-5,17H,6,14H2,1H3,(H,16,18)
InChIKeySTBCBDUNXITTEV-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.81
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 55100163) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID55100163
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(F)c2NN)s1
InChIInChI=1S/C12H13FN4OS/c1-7-15-5-8(19-7)6-16-12(18)9-3-2-4-10(13)11(9)17-14/h2-5,17H,6,14H2,1H3,(H,16,18)
InChIKeySTBCBDUNXITTEV-UHFFFAOYSA-N
XLogP1.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.81
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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Related Compounds

2-(Thiazol-5-ylmethyl)-1H-indazol-3(2H)-one
CID 14898745
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 164621499
Hdac3-IN-4
CID 172419442
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 53537768
N-(2-benzamidoethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 53547437
2-(2,4-difluorophenyl)-N-[7-oxo-7-(2-propylhydrazinyl)heptyl]-1,3-thiazole-5-carboxamide
CID 178319419
2-(2,4-difluorophenyl)-N-[6-oxo-6-(2-propylhydrazinyl)hexyl]-1,3-thiazole-5-carboxamide
CID 178319532
2-(4-fluorophenyl)-N-[4-(propylaminocarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 178320034
US20250145606, Example 263
CID 176306581
US20250145606, Example 268
CID 176306630
US20250145606, Example 266
CID 176306643
US20250145606, Example 262
CID 176306650

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 55100163) is 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2cccc(F)c2NN)s1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is STBCBDUNXITTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c1-7-15-5-8(19-7)6-16-12(18)9-3-2-4-10(13)11(9)17-14/h2-5,17H,6,14H2,1H3,(H,16,18).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 55100163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).