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

C13H22F3N3S — CID 62753907

IUPAC5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C13H22F3N3S/c1-6-17-9(4)11-10(5)18-12(20-11)19(8(2)3)7-13(14,15)16/h8-9,17H,6-7H2,1-5H3
InChIKeyUQOUKUNMDJNFNT-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.90
Rot. Bonds6

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

5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753907) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753907
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C13H22F3N3S/c1-6-17-9(4)11-10(5)18-12(20-11)19(8(2)3)7-13(14,15)16/h8-9,17H,6-7H2,1-5H3
InChIKeyUQOUKUNMDJNFNT-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.90
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]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753907) is 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UQOUKUNMDJNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-6-17-9(4)11-10(5)18-12(20-11)19(8(2)3)7-13(14,15)16/h8-9,17H,6-7H2,1-5H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).