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

C11H18F3N3OS — CID 62752680

IUPACN-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CNCCOC)s1
InChIInChI=1S/C11H18F3N3OS/c1-3-17(8-11(12,13)14)10-16-7-9(19-10)6-15-4-5-18-2/h7,15H,3-6,8H2,1-2H3
InChIKeyPOJDIQZKKQUQDH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.27
Rot. Bonds8

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

N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62752680) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62752680
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CNCCOC)s1
InChIInChI=1S/C11H18F3N3OS/c1-3-17(8-11(12,13)14)10-16-7-9(19-10)6-15-4-5-18-2/h7,15H,3-6,8H2,1-2H3
InChIKeyPOJDIQZKKQUQDH-UHFFFAOYSA-N
XLogP2.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.27
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-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62752680) is N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1ncc(CNCCOC)s1.
What is the InChIKey of N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is POJDIQZKKQUQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-3-17(8-11(12,13)14)10-16-7-9(19-10)6-15-4-5-18-2/h7,15H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 297.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).