N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 62767337

IUPACN,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)CC(F)(F)F)nc1CC
InChIInChI=1S/C12H20F3N3S/c1-4-9-10(7-16-5-2)19-11(17-9)18(6-3)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyJFWYMAJCUYJDRF-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.20
Rot. Bonds7

About N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767337) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767337
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)CC(F)(F)F)nc1CC
InChIInChI=1S/C12H20F3N3S/c1-4-9-10(7-16-5-2)19-11(17-9)18(6-3)8-12(13,14)15/h16H,4-8H2,1-3H3
InChIKeyJFWYMAJCUYJDRF-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,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767337) is N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(CC)CC(F)(F)F)nc1CC.
What is the InChIKey of N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is JFWYMAJCUYJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-9-10(7-16-5-2)19-11(17-9)18(6-3)8-12(13,14)15/h16H,4-8H2,1-3H3.
What are the key properties of N,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N,4-diethyl-5-(ethylaminomethyl)-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,4-diethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).