N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H19F3N2O2S — CID 103150642

IUPACN-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(CCOCC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2O2S/c1-19-7-10-11(6-17-9-2-3-9)21-12(18-10)4-5-20-8-13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyGBDSTBPJKHVTFI-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.66
Rot. Bonds9

About N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 103150642) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID103150642
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(CCOCC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2O2S/c1-19-7-10-11(6-17-9-2-3-9)21-12(18-10)4-5-20-8-13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyGBDSTBPJKHVTFI-UHFFFAOYSA-N
XLogP2.66
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine 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 N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 103150642) is N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCc1nc(CCOCC(F)(F)F)sc1CNC1CC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GBDSTBPJKHVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-19-7-10-11(6-17-9-2-3-9)21-12(18-10)4-5-20-8-13(14,15)16/h9,17H,2-8H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 324.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103150642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).