2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine

C14H23F3N2OS — CID 116535759

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine
SMILESCOCCNC(C)(CCCC(F)(F)F)c1nc(C)c(C)s1
InChIInChI=1S/C14H23F3N2OS/c1-10-11(2)21-12(19-10)13(3,18-8-9-20-4)6-5-7-14(15,16)17/h18H,5-9H2,1-4H3
InChIKeyLLDLZQWTKXOCHB-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.94
Rot. Bonds8

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine (PubChem CID 116535759) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine
PubChem CID116535759
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine
SMILESCOCCNC(C)(CCCC(F)(F)F)c1nc(C)c(C)s1
InChIInChI=1S/C14H23F3N2OS/c1-10-11(2)21-12(19-10)13(3,18-8-9-20-4)6-5-7-14(15,16)17/h18H,5-9H2,1-4H3
InChIKeyLLDLZQWTKXOCHB-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine (CID 116535759) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine is COCCNC(C)(CCCC(F)(F)F)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine?
The InChIKey is LLDLZQWTKXOCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c1-10-11(2)21-12(19-10)13(3,18-8-9-20-4)6-5-7-14(15,16)17/h18H,5-9H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine has a molecular weight of 324.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-(2-methoxyethyl)hexan-2-amine is sourced from PubChem (CID 116535759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).