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

C13H21F3N2S — CID 116535727

IUPAC2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCCc1nc(C(C)(CCCC(F)(F)F)NC)sc1C
InChIInChI=1S/C13H21F3N2S/c1-5-10-9(2)19-11(18-10)12(3,17-4)7-6-8-13(14,15)16/h17H,5-8H2,1-4H3
InChIKeyDPHQSGGUMZIUIQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.18
Rot. Bonds6

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

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine (PubChem CID 116535727) has the molecular formula C13H21F3N2S and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine
PubChem CID116535727
Molecular FormulaC13H21F3N2S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCCc1nc(C(C)(CCCC(F)(F)F)NC)sc1C
InChIInChI=1S/C13H21F3N2S/c1-5-10-9(2)19-11(18-10)12(3,17-4)7-6-8-13(14,15)16/h17H,5-8H2,1-4H3
InChIKeyDPHQSGGUMZIUIQ-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.18
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-methylhexan-2-amine?
The IUPAC name of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine (CID 116535727) is 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The canonical SMILES for 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine is CCc1nc(C(C)(CCCC(F)(F)F)NC)sc1C.
What is the InChIKey of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The InChIKey is DPHQSGGUMZIUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2S/c1-5-10-9(2)19-11(18-10)12(3,17-4)7-6-8-13(14,15)16/h17H,5-8H2,1-4H3.
What are the key properties of 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine?
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine has a molecular weight of 294.39 g/mol, XLogP of 4.18, 6 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-methylhexan-2-amine is sourced from PubChem (CID 116535727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).