2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol

C8H11F3N2OS — CID 83959791

IUPAC2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol
SMILESCc1nc(C(F)(F)F)sc1CNCCO
InChIInChI=1S/C8H11F3N2OS/c1-5-6(4-12-2-3-14)15-7(13-5)8(9,10)11/h12,14H,2-4H2,1H3
InChIKeyZHVWCKJEKZQWSI-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.55
Rot. Bonds4

About 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol

2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol (PubChem CID 83959791) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol
PubChem CID83959791
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol
SMILESCc1nc(C(F)(F)F)sc1CNCCO
InChIInChI=1S/C8H11F3N2OS/c1-5-6(4-12-2-3-14)15-7(13-5)8(9,10)11/h12,14H,2-4H2,1H3
InChIKeyZHVWCKJEKZQWSI-UHFFFAOYSA-N
XLogP1.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
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-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol?
The IUPAC name of 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol (CID 83959791) is 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol is Cc1nc(C(F)(F)F)sc1CNCCO.
What is the InChIKey of 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol?
The InChIKey is ZHVWCKJEKZQWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5-6(4-12-2-3-14)15-7(13-5)8(9,10)11/h12,14H,2-4H2,1H3.
What are the key properties of 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol?
2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol has a molecular weight of 240.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 83959791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).