1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

C8H11F3N2OS — CID 82710636

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc(C(C)NOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-5(7-3-15-6(2)12-7)13-14-4-8(9,10)11/h3,5,13H,4H2,1-2H3
InChIKeyBPMPHGPPIKXSRK-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.60
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82710636) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82710636
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nc(C(C)NOCC(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2OS/c1-5(7-3-15-6(2)12-7)13-14-4-8(9,10)11/h3,5,13H,4H2,1-2H3
InChIKeyBPMPHGPPIKXSRK-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82710636) is 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is Cc1nc(C(C)NOCC(F)(F)F)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is BPMPHGPPIKXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(7-3-15-6(2)12-7)13-14-4-8(9,10)11/h3,5,13H,4H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 240.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82710636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).