1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C13H11BrFN3S — CID 114906198

IUPAC1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFN3S/c14-8-1-2-10(11(15)5-8)12(16)6-9-7-18-3-4-19-13(18)17-9/h1-5,7,12H,6,16H2
InChIKeyFQQPZRCLTCSIES-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 114906198) has the molecular formula C13H11BrFN3S and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID114906198
Molecular FormulaC13H11BrFN3S
Molecular Weight340.22 g/mol
Exact Mass338.98
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFN3S/c14-8-1-2-10(11(15)5-8)12(16)6-9-7-18-3-4-19-13(18)17-9/h1-5,7,12H,6,16H2
InChIKeyFQQPZRCLTCSIES-UHFFFAOYSA-N
XLogP3.54
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333678
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105023464
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127935
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
[1-(4-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl]hydrazine
CID 105195463

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 114906198) is 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is NC(Cc1cn2ccsc2n1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is FQQPZRCLTCSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3S/c14-8-1-2-10(11(15)5-8)12(16)6-9-7-18-3-4-19-13(18)17-9/h1-5,7,12H,6,16H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 340.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 114906198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).