ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C11H19F3N2S — CID 168899217

IUPACethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCC.CCN(C)C(c1ncc(C)s1)C(F)(F)F
InChIInChI=1S/C9H13F3N2S.C2H6/c1-4-14(3)7(9(10,11)12)8-13-5-6(2)15-8;1-2/h5,7H,4H2,1-3H3;1-2H3
InChIKeyAWMOLYMZOPPXQH-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.03
Rot. Bonds3

About ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 168899217) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID168899217
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Nameethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCC.CCN(C)C(c1ncc(C)s1)C(F)(F)F
InChIInChI=1S/C9H13F3N2S.C2H6/c1-4-14(3)7(9(10,11)12)8-13-5-6(2)15-8;1-2/h5,7H,4H2,1-3H3;1-2H3
InChIKeyAWMOLYMZOPPXQH-UHFFFAOYSA-N
XLogP4.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 168899217) is ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is CC.CCN(C)C(c1ncc(C)s1)C(F)(F)F.
What is the InChIKey of ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AWMOLYMZOPPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S.C2H6/c1-4-14(3)7(9(10,11)12)8-13-5-6(2)15-8;1-2/h5,7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2,2-trifluoro-N-methyl-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 168899217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).