(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine

C17H20FN3O2S — CID 146512161

IUPAC(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(N3CCOCC3)cs2)cc1
InChIInChI=1S/C17H20FN3O2S/c18-9-13(10-19)11-23-15-3-1-14(2-4-15)17-20-16(12-24-17)21-5-7-22-8-6-21/h1-4,9,12H,5-8,10-11,19H2/b13-9+
InChIKeyDRJSDJCIPPAYLP-UKTHLTGXSA-N
MW349.43 g/mol
LogP2.84
Rot. Bonds6

About (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512161) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512161
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(N3CCOCC3)cs2)cc1
InChIInChI=1S/C17H20FN3O2S/c18-9-13(10-19)11-23-15-3-1-14(2-4-15)17-20-16(12-24-17)21-5-7-22-8-6-21/h1-4,9,12H,5-8,10-11,19H2/b13-9+
InChIKeyDRJSDJCIPPAYLP-UKTHLTGXSA-N
XLogP2.84
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512161) is (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is NC/C(=C\F)COc1ccc(-c2nc(N3CCOCC3)cs2)cc1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is DRJSDJCIPPAYLP-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-9-13(10-19)11-23-15-3-1-14(2-4-15)17-20-16(12-24-17)21-5-7-22-8-6-21/h1-4,9,12H,5-8,10-11,19H2/b13-9+.
What are the key properties of (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 349.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).