N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C8H11F3N2OS — CID 166907977

IUPACN-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCON(C)Cc1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N2OS/c1-5-6(4-13(2)14-3)15-7(12-5)8(9,10)11/h4H2,1-3H3
InChIKeyLTLDKRIIHNJWJS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.46
Rot. Bonds3

About N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 166907977) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID166907977
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCON(C)Cc1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N2OS/c1-5-6(4-13(2)14-3)15-7(12-5)8(9,10)11/h4H2,1-3H3
InChIKeyLTLDKRIIHNJWJS-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 166907977) is N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CON(C)Cc1sc(C(F)(F)F)nc1C.
What is the InChIKey of N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LTLDKRIIHNJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5-6(4-13(2)14-3)15-7(12-5)8(9,10)11/h4H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 166907977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).