5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 62767314

IUPAC5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C11H18F3N3S/c1-10(2,3)8-7(5-15)18-9(16-8)17(4)6-11(12,13)14/h5-6,15H2,1-4H3
InChIKeyTZBKHAYCXMOICU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.90
Rot. Bonds3

About 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767314) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767314
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C11H18F3N3S/c1-10(2,3)8-7(5-15)18-9(16-8)17(4)6-11(12,13)14/h5-6,15H2,1-4H3
InChIKeyTZBKHAYCXMOICU-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767314) is 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is TZBKHAYCXMOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-10(2,3)8-7(5-15)18-9(16-8)17(4)6-11(12,13)14/h5-6,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).