5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 55111873

IUPAC5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1ncc(C(C)NCC)s1
InChIInChI=1S/C12H20F3N3S/c1-4-6-18(8-12(13,14)15)11-17-7-10(19-11)9(3)16-5-2/h7,9,16H,4-6,8H2,1-3H3
InChIKeyABKYJCYUOWHVCU-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.59
Rot. Bonds7

About 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55111873) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55111873
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1ncc(C(C)NCC)s1
InChIInChI=1S/C12H20F3N3S/c1-4-6-18(8-12(13,14)15)11-17-7-10(19-11)9(3)16-5-2/h7,9,16H,4-6,8H2,1-3H3
InChIKeyABKYJCYUOWHVCU-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55111873) is 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1ncc(C(C)NCC)s1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ABKYJCYUOWHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-6-18(8-12(13,14)15)11-17-7-10(19-11)9(3)16-5-2/h7,9,16H,4-6,8H2,1-3H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55111873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).