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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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).