6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine

C12H19F3N2OS — CID 116535758

IUPAC6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCOCCNC(C)(CCCC(F)(F)F)c1nccs1
InChIInChI=1S/C12H19F3N2OS/c1-11(17-6-8-18-2,10-16-7-9-19-10)4-3-5-12(13,14)15/h7,9,17H,3-6,8H2,1-2H3
InChIKeyBJFBOADZVHXAHP-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.33
Rot. Bonds8

About 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine

6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 116535758) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID116535758
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCOCCNC(C)(CCCC(F)(F)F)c1nccs1
InChIInChI=1S/C12H19F3N2OS/c1-11(17-6-8-18-2,10-16-7-9-19-10)4-3-5-12(13,14)15/h7,9,17H,3-6,8H2,1-2H3
InChIKeyBJFBOADZVHXAHP-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833
1-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 64481599
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481834
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64482001
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755107
N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756123
N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756126
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758236
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64990927
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65803858
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803859

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine (CID 116535758) is 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine is COCCNC(C)(CCCC(F)(F)F)c1nccs1.
What is the InChIKey of 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is BJFBOADZVHXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-11(17-6-8-18-2,10-16-7-9-19-10)4-3-5-12(13,14)15/h7,9,17H,3-6,8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine?
6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 116535758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).