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

C15H16ClN3OS — CID 43476617

IUPAC1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2c(C)cc(Cl)cc2C)nc2sccn12
InChIInChI=1S/C15H16ClN3OS/c1-9-6-11(16)7-10(2)13(9)20-14-12(8-17-3)19-4-5-21-15(19)18-14/h4-7,17H,8H2,1-3H3
InChIKeyJUCOATYESDLULZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.18
Rot. Bonds4

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

1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 43476617) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID43476617
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2c(C)cc(Cl)cc2C)nc2sccn12
InChIInChI=1S/C15H16ClN3OS/c1-9-6-11(16)7-10(2)13(9)20-14-12(8-17-3)19-4-5-21-15(19)18-14/h4-7,17H,8H2,1-3H3
InChIKeyJUCOATYESDLULZ-UHFFFAOYSA-N
XLogP4.18
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine with MolForge

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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
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-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655
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
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755
N-[[6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 107169863
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61416879
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 43476617) is 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Oc2c(C)cc(Cl)cc2C)nc2sccn12.
What is the InChIKey of 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JUCOATYESDLULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9-6-11(16)7-10(2)13(9)20-14-12(8-17-3)19-4-5-21-15(19)18-14/h4-7,17H,8H2,1-3H3.
What are the key properties of 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 321.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 43476617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).