2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine

C15H25F3N2S — CID 116535743

IUPAC2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1
InChIInChI=1S/C15H25F3N2S/c1-5-10-19-14(4,8-7-9-15(16,17)18)13-20-12(6-2)11(3)21-13/h19H,5-10H2,1-4H3
InChIKeyOHPMCWCYOIRJSS-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.96
Rot. Bonds8

About 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine (PubChem CID 116535743) has the molecular formula C15H25F3N2S and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
PubChem CID116535743
Molecular FormulaC15H25F3N2S
Molecular Weight322.44 g/mol
Exact Mass322.17
IUPAC Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1
InChIInChI=1S/C15H25F3N2S/c1-5-10-19-14(4,8-7-9-15(16,17)18)13-20-12(6-2)11(3)21-13/h19H,5-10H2,1-4H3
InChIKeyOHPMCWCYOIRJSS-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The IUPAC name of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine (CID 116535743) is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The canonical SMILES for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine is CCCNC(C)(CCCC(F)(F)F)c1nc(CC)c(C)s1.
What is the InChIKey of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The InChIKey is OHPMCWCYOIRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2S/c1-5-10-19-14(4,8-7-9-15(16,17)18)13-20-12(6-2)11(3)21-13/h19H,5-10H2,1-4H3.
What are the key properties of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine?
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine has a molecular weight of 322.44 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine is sourced from PubChem (CID 116535743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).