5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C15H15BrFN3S — CID 107083113

IUPAC5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(c1ccccc1F)N(C)c1nc2sccn2c1CBr
InChIInChI=1S/C15H15BrFN3S/c1-10(11-5-3-4-6-12(11)17)19(2)14-13(9-16)20-7-8-21-15(20)18-14/h3-8,10H,9H2,1-2H3
InChIKeyYCQIDDFYBBGNHN-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.63
Rot. Bonds4

About 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107083113) has the molecular formula C15H15BrFN3S and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107083113
Molecular FormulaC15H15BrFN3S
Molecular Weight368.28 g/mol
Exact Mass367.02
IUPAC Name5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(c1ccccc1F)N(C)c1nc2sccn2c1CBr
InChIInChI=1S/C15H15BrFN3S/c1-10(11-5-3-4-6-12(11)17)19(2)14-13(9-16)20-7-8-21-15(20)18-14/h3-8,10H,9H2,1-2H3
InChIKeyYCQIDDFYBBGNHN-UHFFFAOYSA-N
XLogP4.63
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 62979731
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327502
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107084387
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 107083113) is 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CC(c1ccccc1F)N(C)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YCQIDDFYBBGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3S/c1-10(11-5-3-4-6-12(11)17)19(2)14-13(9-16)20-7-8-21-15(20)18-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 368.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107083113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).