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

C12H20F3N3OS — CID 62768696

IUPAC4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC(F)(F)F)sc1CNCCOC
InChIInChI=1S/C12H20F3N3OS/c1-4-9-10(7-16-5-6-19-3)20-11(17-9)18(2)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyVVCFDWHZDWGTCD-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.44
Rot. Bonds8

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

4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768696) has the molecular formula C12H20F3N3OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768696
Molecular FormulaC12H20F3N3OS
Molecular Weight311.37 g/mol
Exact Mass311.13
IUPAC Name4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC(F)(F)F)sc1CNCCOC
InChIInChI=1S/C12H20F3N3OS/c1-4-9-10(7-16-5-6-19-3)20-11(17-9)18(2)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyVVCFDWHZDWGTCD-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.44
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 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768696) is 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CC(F)(F)F)sc1CNCCOC.
What is the InChIKey of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is VVCFDWHZDWGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3OS/c1-4-9-10(7-16-5-6-19-3)20-11(17-9)18(2)8-12(13,14)15/h16H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 311.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).