5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 62752387

IUPAC5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)N
InChIInChI=1S/C11H18F3N3S/c1-6(2)17(5-11(12,13)14)10-16-8(4)9(18-10)7(3)15/h6-7H,5,15H2,1-4H3
InChIKeyAYJKJJNGJBIUPJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.25
Rot. Bonds4

About 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62752387) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62752387
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)N
InChIInChI=1S/C11H18F3N3S/c1-6(2)17(5-11(12,13)14)10-16-8(4)9(18-10)7(3)15/h6-7H,5,15H2,1-4H3
InChIKeyAYJKJJNGJBIUPJ-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62752387) is 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)N.
What is the InChIKey of 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is AYJKJJNGJBIUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-6(2)17(5-11(12,13)14)10-16-8(4)9(18-10)7(3)15/h6-7H,5,15H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).