4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 62753906

IUPAC4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C12H20F3N3S/c1-7(2)18(6-12(13,14)15)11-17-9(4)10(19-11)8(3)16-5/h7-8,16H,6H2,1-5H3
InChIKeyGUGLKCHBEOZPDO-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.51
Rot. Bonds5

About 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753906) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753906
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C12H20F3N3S/c1-7(2)18(6-12(13,14)15)11-17-9(4)10(19-11)8(3)16-5/h7-8,16H,6H2,1-5H3
InChIKeyGUGLKCHBEOZPDO-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753906) is 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is GUGLKCHBEOZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-7(2)18(6-12(13,14)15)11-17-9(4)10(19-11)8(3)16-5/h7-8,16H,6H2,1-5H3.
What are the key properties of 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).