5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

C15H17F3N2OS — CID 118519705

IUPAC5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESNCCCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C15H17F3N2OS/c16-15(17,18)11-4-6-12(7-5-11)21-13(3-1-2-8-19)14-20-9-10-22-14/h4-7,9-10,13H,1-3,8,19H2
InChIKeyDGSYBJJUYYZFBM-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.41
Rot. Bonds7

About 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 118519705) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID118519705
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESNCCCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C15H17F3N2OS/c16-15(17,18)11-4-6-12(7-5-11)21-13(3-1-2-8-19)14-20-9-10-22-14/h4-7,9-10,13H,1-3,8,19H2
InChIKeyDGSYBJJUYYZFBM-UHFFFAOYSA-N
XLogP4.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.41
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 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (CID 118519705) is 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is NCCCCC(Oc1ccc(C(F)(F)F)cc1)c1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is DGSYBJJUYYZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2OS/c16-15(17,18)11-4-6-12(7-5-11)21-13(3-1-2-8-19)14-20-9-10-22-14/h4-7,9-10,13H,1-3,8,19H2.
What are the key properties of 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 330.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 118519705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).