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

C11H17F3N2S — CID 62404281

IUPAC2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C11H17F3N2S/c1-7-8(6-15-10(2,3)4)17-9(16-7)5-11(12,13)14/h15H,5-6H2,1-4H3
InChIKeyJEBRTAYRAVUHAS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.44
Rot. Bonds3

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

2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62404281) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62404281
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C11H17F3N2S/c1-7-8(6-15-10(2,3)4)17-9(16-7)5-11(12,13)14/h15H,5-6H2,1-4H3
InChIKeyJEBRTAYRAVUHAS-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62404281) is 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(CC(F)(F)F)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JEBRTAYRAVUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-7-8(6-15-10(2,3)4)17-9(16-7)5-11(12,13)14/h15H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62404281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).