N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 55117941

IUPACN-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CNC
InChIInChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-3)19-11(17-9)18(5-2)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyDYPXVQVTCAGYBW-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.20
Rot. Bonds7

About N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117941) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117941
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CNC
InChIInChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-3)19-11(17-9)18(5-2)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyDYPXVQVTCAGYBW-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117941) is N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCc1nc(N(CC)CC(F)(F)F)sc1CNC.
What is the InChIKey of N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is DYPXVQVTCAGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-6-9-10(7-16-3)19-11(17-9)18(5-2)8-12(13,14)15/h16H,4-8H2,1-3H3.
What are the key properties of N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).