N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C12H16F3N3OS — CID 63826950

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc2scc(C)n2c1CNCCOCC(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c1-8-6-20-11-17-9(2)10(18(8)11)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyGGOQFHXIBUBKJF-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.68
Rot. Bonds6

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63826950) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63826950
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc2scc(C)n2c1CNCCOCC(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c1-8-6-20-11-17-9(2)10(18(8)11)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyGGOQFHXIBUBKJF-UHFFFAOYSA-N
XLogP2.68
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43755052
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 55173396
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62316573
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63058472
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63221743
1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710800
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91788850
2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 103081246
2-(2,2-difluoroethoxy)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 103081264
1,1-Difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol
CID 103731523
3-[(3,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105643446
3-[(3,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644247

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63826950) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1nc2scc(C)n2c1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GGOQFHXIBUBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-8-6-20-11-17-9(2)10(18(8)11)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 307.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63826950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).