1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

C9H13F3N2OS — CID 106782373

IUPAC1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCCC(N)(COC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-3-8(13,5-15-2)6-4-14-7(16-6)9(10,11)12/h4H,3,5,13H2,1-2H3
InChIKeyNNPVEACDOMNXOQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.37
Rot. Bonds4

About 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine

1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (PubChem CID 106782373) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
PubChem CID106782373
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
SMILESCCC(N)(COC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-3-8(13,5-15-2)6-4-14-7(16-6)9(10,11)12/h4H,3,5,13H2,1-2H3
InChIKeyNNPVEACDOMNXOQ-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-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 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine (CID 106782373) is 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is CCC(N)(COC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
The InChIKey is NNPVEACDOMNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-3-8(13,5-15-2)6-4-14-7(16-6)9(10,11)12/h4H,3,5,13H2,1-2H3.
What are the key properties of 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine?
1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 106782373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).