4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

C10H6BrFN2OS — CID 4656948

IUPAC4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)cc1F
InChIInChI=1S/C10H6BrFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-5H,(H,13,14,15)
InChIKeyNWTORYMGBBOMDG-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.30
Rot. Bonds2

About 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4656948) has the molecular formula C10H6BrFN2OS and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4656948
Molecular FormulaC10H6BrFN2OS
Molecular Weight301.14 g/mol
Exact Mass299.94
IUPAC Name4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)cc1F
InChIInChI=1S/C10H6BrFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-5H,(H,13,14,15)
InChIKeyNWTORYMGBBOMDG-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 4656948) is 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NWTORYMGBBOMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-5H,(H,13,14,15).
What are the key properties of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 301.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4656948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).