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

C12H16F3N3OS — CID 62316573

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cn2c(CNCCOCC(F)(F)F)c(C)nc2s1
InChIInChI=1S/C12H16F3N3OS/c1-8-6-18-10(9(2)17-11(18)20-8)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyKJLBSZZWAOKOSX-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.68
Rot. Bonds6

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

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 62316573) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID62316573
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cn2c(CNCCOCC(F)(F)F)c(C)nc2s1
InChIInChI=1S/C12H16F3N3OS/c1-8-6-18-10(9(2)17-11(18)20-8)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3
InChIKeyKJLBSZZWAOKOSX-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 62316573) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1cn2c(CNCCOCC(F)(F)F)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is KJLBSZZWAOKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-8-6-18-10(9(2)17-11(18)20-8)5-16-3-4-19-7-12(13,14)15/h6,16H,3-5,7H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(2,6-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-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 62316573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).