3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C13H11BrFN3OS — CID 104776088

IUPAC3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1nc2sccn2c1CNc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFN3OS/c1-19-12-11(18-4-5-20-13(18)17-12)7-16-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3
InChIKeyRUVPSTRUIZJSQL-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.92
Rot. Bonds4

About 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 104776088) has the molecular formula C13H11BrFN3OS and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID104776088
Molecular FormulaC13H11BrFN3OS
Molecular Weight356.22 g/mol
Exact Mass354.98
IUPAC Name3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1nc2sccn2c1CNc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrFN3OS/c1-19-12-11(18-4-5-20-13(18)17-12)7-16-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3
InChIKeyRUVPSTRUIZJSQL-UHFFFAOYSA-N
XLogP3.92
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
3-ethynyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43755492
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylaniline
CID 43765886
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
1-(2-bromophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43780223
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 104776088) is 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is COc1nc2sccn2c1CNc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is RUVPSTRUIZJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3OS/c1-19-12-11(18-4-5-20-13(18)17-12)7-16-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 356.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 104776088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).