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

C10H15F3N2OS — CID 106783278

IUPAC4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNC(CCCOC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-14-7(4-3-5-16-2)8-6-15-9(17-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyQRBNWKLHJSWVAZ-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.85
Rot. Bonds6

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

4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106783278) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106783278
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNC(CCCOC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-14-7(4-3-5-16-2)8-6-15-9(17-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyQRBNWKLHJSWVAZ-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.85
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 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106783278) is 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CNC(CCCOC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is QRBNWKLHJSWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-14-7(4-3-5-16-2)8-6-15-9(17-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 268.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106783278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).