N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C10H13F3N2OS — CID 55073108

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCc1csc(CNC2CC2)n1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)6-16-4-8-5-17-9(15-8)3-14-7-1-2-7/h5,7,14H,1-4,6H2
InChIKeyPONKZVDXSIORGW-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.47
Rot. Bonds6

About N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55073108) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55073108
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCc1csc(CNC2CC2)n1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)6-16-4-8-5-17-9(15-8)3-14-7-1-2-7/h5,7,14H,1-4,6H2
InChIKeyPONKZVDXSIORGW-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-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

Related Compounds

2-methoxy-N-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanamine
CID 53996606
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962133
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55077459
1-(2-methyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55262028
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732804
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490761
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61526468
[4-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445219
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445400
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62445594
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62445595

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55073108) is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is FC(F)(F)COCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is PONKZVDXSIORGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)6-16-4-8-5-17-9(15-8)3-14-7-1-2-7/h5,7,14H,1-4,6H2.
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 266.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55073108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).