1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine

C15H17N3OS — CID 115331313

IUPAC1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1OCc1cn2ccsc2n1
InChIInChI=1S/C15H17N3OS/c1-11(16-2)13-5-3-4-6-14(13)19-10-12-9-18-7-8-20-15(18)17-12/h3-9,11,16H,10H2,1-2H3
InChIKeyDXOPOWXQEYHODV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine

1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 115331313) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID115331313
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1OCc1cn2ccsc2n1
InChIInChI=1S/C15H17N3OS/c1-11(16-2)13-5-3-4-6-14(13)19-10-12-9-18-7-8-20-15(18)17-12/h3-9,11,16H,10H2,1-2H3
InChIKeyDXOPOWXQEYHODV-UHFFFAOYSA-N
XLogP3.26
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332162
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-ol
CID 115332159
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 97021277
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 113288865
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine (CID 115331313) is 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccccc1OCc1cn2ccsc2n1.
What is the InChIKey of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is DXOPOWXQEYHODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(16-2)13-5-3-4-6-14(13)19-10-12-9-18-7-8-20-15(18)17-12/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine?
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine has a molecular weight of 287.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 115331313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).