2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

C10H13F3N2O2S — CID 106784753

IUPAC2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCOCCCC(N)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-17-4-2-3-6(14)8(16)7-5-15-9(18-7)10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeySKQRZEZEBULSNE-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.10
Rot. Bonds6

About 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (PubChem CID 106784753) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
PubChem CID106784753
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCOCCCC(N)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-17-4-2-3-6(14)8(16)7-5-15-9(18-7)10(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeySKQRZEZEBULSNE-UHFFFAOYSA-N
XLogP2.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one 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 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (CID 106784753) is 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is COCCCC(N)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The InChIKey is SKQRZEZEBULSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-17-4-2-3-6(14)8(16)7-5-15-9(18-7)10(11,12)13/h5-6H,2-4,14H2,1H3.
What are the key properties of 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one has a molecular weight of 282.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is sourced from PubChem (CID 106784753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).