N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 62750608

IUPACN,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-6-16-8(2)10-9(3)17-11(19-10)18(4)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyAHCGLEBYJILYDB-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.51
Rot. Bonds6

About N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62750608) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62750608
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-6-16-8(2)10-9(3)17-11(19-10)18(4)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyAHCGLEBYJILYDB-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62750608) is N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(C)CC(F)(F)F)nc1C.
What is the InChIKey of N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is AHCGLEBYJILYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-5-6-16-8(2)10-9(3)17-11(19-10)18(4)7-12(13,14)15/h8,16H,5-7H2,1-4H3.
What are the key properties of N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).