5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C12H11BrFN3OS — CID 63238432

IUPAC5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1cc(C(=O)NCCc2nccs2)c(Br)cc1F
InChIInChI=1S/C12H11BrFN3OS/c13-8-6-9(14)10(15)5-7(8)12(18)17-2-1-11-16-3-4-19-11/h3-6H,1-2,15H2,(H,17,18)
InChIKeyVFMJHUGEDKJGRV-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.60
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63238432) has the molecular formula C12H11BrFN3OS and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63238432
Molecular FormulaC12H11BrFN3OS
Molecular Weight344.21 g/mol
Exact Mass342.98
IUPAC Name5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1cc(C(=O)NCCc2nccs2)c(Br)cc1F
InChIInChI=1S/C12H11BrFN3OS/c13-8-6-9(14)10(15)5-7(8)12(18)17-2-1-11-16-3-4-19-11/h3-6H,1-2,15H2,(H,17,18)
InChIKeyVFMJHUGEDKJGRV-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 63238432) is 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is Nc1cc(C(=O)NCCc2nccs2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is VFMJHUGEDKJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3OS/c13-8-6-9(14)10(15)5-7(8)12(18)17-2-1-11-16-3-4-19-11/h3-6H,1-2,15H2,(H,17,18).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 344.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63238432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).