N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine

C9H13F3N2OS — CID 66275758

IUPACN-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-6(9(10,11)12)15-4-7-5-16-8(14-7)3-13-2/h5-6,13H,3-4H2,1-2H3
InChIKeyYDODDWINPXEHJY-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66275758) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID66275758
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2OS/c1-6(9(10,11)12)15-4-7-5-16-8(14-7)3-13-2/h5-6,13H,3-4H2,1-2H3
InChIKeyYDODDWINPXEHJY-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine 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-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine (CID 66275758) is N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(COC(C)C(F)(F)F)cs1.
What is the InChIKey of N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is YDODDWINPXEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-6(9(10,11)12)15-4-7-5-16-8(14-7)3-13-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66275758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).