5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3OS — CID 62767832

IUPAC5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3OS/c1-8-9(6-15-4-5-18-3)19-10(16-8)17(2)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyWHVPRUAYALDJGQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.19
Rot. Bonds7

About 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767832) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767832
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3OS/c1-8-9(6-15-4-5-18-3)19-10(16-8)17(2)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyWHVPRUAYALDJGQ-UHFFFAOYSA-N
XLogP2.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.19
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 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767832) is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC(F)(F)F)nc1C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is WHVPRUAYALDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-8-9(6-15-4-5-18-3)19-10(16-8)17(2)7-11(12,13)14/h15H,4-7H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 297.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).