1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C13H11BrClN3OS — CID 43476745

IUPAC1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(Cl)cc2Br)nc2sccn12
InChIInChI=1S/C13H11BrClN3OS/c1-16-7-10-12(17-13-18(10)4-5-20-13)19-11-3-2-8(15)6-9(11)14/h2-6,16H,7H2,1H3
InChIKeyOQHINHUJNBXCFW-UHFFFAOYSA-N
MW372.68 g/mol
LogP4.32
Rot. Bonds4

About 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 43476745) has the molecular formula C13H11BrClN3OS and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID43476745
Molecular FormulaC13H11BrClN3OS
Molecular Weight372.68 g/mol
Exact Mass370.95
IUPAC Name1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(Cl)cc2Br)nc2sccn12
InChIInChI=1S/C13H11BrClN3OS/c1-16-7-10-12(17-13-18(10)4-5-20-13)19-11-3-2-8(15)6-9(11)14/h2-6,16H,7H2,1H3
InChIKeyOQHINHUJNBXCFW-UHFFFAOYSA-N
XLogP4.32
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.68
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 107659553
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476617
1-[2-(2-bromo-4-chlorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 43478720
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755
2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802614
5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 43476745) is 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Oc2ccc(Cl)cc2Br)nc2sccn12.
What is the InChIKey of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is OQHINHUJNBXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3OS/c1-16-7-10-12(17-13-18(10)4-5-20-13)19-11-3-2-8(15)6-9(11)14/h2-6,16H,7H2,1H3.
What are the key properties of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 372.68 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 43476745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).