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

C13H10BrCl2N3OS — CID 107659553

IUPAC1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C13H10BrCl2N3OS/c1-17-6-10-12(18-13-19(10)2-3-21-13)20-11-5-8(15)7(14)4-9(11)16/h2-5,17H,6H2,1H3
InChIKeyCBTYZLBLCVHODA-UHFFFAOYSA-N
MW407.12 g/mol
LogP4.98
Rot. Bonds4

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

1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 107659553) has the molecular formula C13H10BrCl2N3OS and a molecular weight of 407.12 g/mol. Its IUPAC name is 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID107659553
Molecular FormulaC13H10BrCl2N3OS
Molecular Weight407.12 g/mol
Exact Mass404.91
IUPAC Name1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C13H10BrCl2N3OS/c1-17-6-10-12(18-13-19(10)2-3-21-13)20-11-5-8(15)7(14)4-9(11)16/h2-5,17H,6H2,1H3
InChIKeyCBTYZLBLCVHODA-UHFFFAOYSA-N
XLogP4.98
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.12
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
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
1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476617
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
2-[6-(2-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63815749

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 107659553) is 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12.
What is the InChIKey of 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CBTYZLBLCVHODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3OS/c1-17-6-10-12(18-13-19(10)2-3-21-13)20-11-5-8(15)7(14)4-9(11)16/h2-5,17H,6H2,1H3.
What are the key properties of 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 407.12 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).