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

C12H10BrFN2OS — CID 103707187

IUPAC3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFN2OS/c13-9-7-8(1-2-10(9)14)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyYKHXEHHFTJICID-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.02
Rot. Bonds4

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

3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103707187) has the molecular formula C12H10BrFN2OS and a molecular weight of 329.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103707187
Molecular FormulaC12H10BrFN2OS
Molecular Weight329.19 g/mol
Exact Mass327.97
IUPAC Name3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFN2OS/c13-9-7-8(1-2-10(9)14)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyYKHXEHHFTJICID-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49355497
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 103707187) is 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is YKHXEHHFTJICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2OS/c13-9-7-8(1-2-10(9)14)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17).
What are the key properties of 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 329.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103707187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).