2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine

C9H13F3N2OS — CID 107470434

IUPAC2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
SMILESCC(C)(NCCOC(F)(F)F)c1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-8(2,7-13-4-6-16-7)14-3-5-15-9(10,11)12/h4,6,14H,3,5H2,1-2H3
InChIKeyJLBDJOXITNKGSW-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.50
Rot. Bonds5

About 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine

2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine (PubChem CID 107470434) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
PubChem CID107470434
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
SMILESCC(C)(NCCOC(F)(F)F)c1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-8(2,7-13-4-6-16-7)14-3-5-15-9(10,11)12/h4,6,14H,3,5H2,1-2H3
InChIKeyJLBDJOXITNKGSW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine (CID 107470434) is 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine is CC(C)(NCCOC(F)(F)F)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The InChIKey is JLBDJOXITNKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-8(2,7-13-4-6-16-7)14-3-5-15-9(10,11)12/h4,6,14H,3,5H2,1-2H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 107470434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).