5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C12H17F3N4OS — CID 63058472

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCCNCc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4OS/c1-18(8-12(13,14)15)10-9(7-16-3-5-20-2)19-4-6-21-11(19)17-10/h4,6,16H,3,5,7-8H2,1-2H3
InChIKeyBDEMQSFEHRZVQX-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.13
Rot. Bonds7

About 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63058472) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63058472
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCCNCc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4OS/c1-18(8-12(13,14)15)10-9(7-16-3-5-20-2)19-4-6-21-11(19)17-10/h4,6,16H,3,5,7-8H2,1-2H3
InChIKeyBDEMQSFEHRZVQX-UHFFFAOYSA-N
XLogP2.13
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63058472) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is COCCNCc1c(N(C)CC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is BDEMQSFEHRZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-18(8-12(13,14)15)10-9(7-16-3-5-20-2)19-4-6-21-11(19)17-10/h4,6,16H,3,5,7-8H2,1-2H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 322.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63058472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).