6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine

C20H28N2O2S — CID 90924656

IUPAC6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine
SMILESCCC1(CCCCCC(N)c2cnc(-c3ccccc3)s2)OCCO1
InChIInChI=1S/C20H28N2O2S/c1-2-20(23-13-14-24-20)12-8-4-7-11-17(21)18-15-22-19(25-18)16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14,21H2,1H3
InChIKeyFFMHICQWWHFYGY-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.91
Rot. Bonds9

About 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine

6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine (PubChem CID 90924656) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine
PubChem CID90924656
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine
SMILESCCC1(CCCCCC(N)c2cnc(-c3ccccc3)s2)OCCO1
InChIInChI=1S/C20H28N2O2S/c1-2-20(23-13-14-24-20)12-8-4-7-11-17(21)18-15-22-19(25-18)16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14,21H2,1H3
InChIKeyFFMHICQWWHFYGY-UHFFFAOYSA-N
XLogP4.91
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine?
The IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine (CID 90924656) is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine.
What is the SMILES notation for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine?
The canonical SMILES for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine is CCC1(CCCCCC(N)c2cnc(-c3ccccc3)s2)OCCO1.
What is the InChIKey of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine?
The InChIKey is FFMHICQWWHFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-2-20(23-13-14-24-20)12-8-4-7-11-17(21)18-15-22-19(25-18)16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14,21H2,1H3.
What are the key properties of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine?
6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine has a molecular weight of 360.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-(2-phenyl-1,3-thiazol-5-yl)hexan-1-amine is sourced from PubChem (CID 90924656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).