1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C12H17F3N2OS — CID 103150645

IUPAC1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C12H17F3N2OS/c1-16-6-9-11(8-2-3-8)17-10(19-9)4-5-18-7-12(13,14)15/h8,16H,2-7H2,1H3
InChIKeyGRDLBYPPXALGEY-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.86
Rot. Bonds7

About 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150645) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150645
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)(F)F)nc1C1CC1
InChIInChI=1S/C12H17F3N2OS/c1-16-6-9-11(8-2-3-8)17-10(19-9)4-5-18-7-12(13,14)15/h8,16H,2-7H2,1H3
InChIKeyGRDLBYPPXALGEY-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine 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 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150645) is 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOCC(F)(F)F)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is GRDLBYPPXALGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-16-6-9-11(8-2-3-8)17-10(19-9)4-5-18-7-12(13,14)15/h8,16H,2-7H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 294.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).