3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C8H11F3N2OS — CID 106783095

IUPAC3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-5(12)6-4-13-7(15-6)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyAOSSPCNURASNET-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.20
Rot. Bonds4

About 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783095) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783095
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-14-3-2-5(12)6-4-13-7(15-6)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyAOSSPCNURASNET-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783095) is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is COCCC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is AOSSPCNURASNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-14-3-2-5(12)6-4-13-7(15-6)8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 240.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).