(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride

C18H23ClFN3O2S — CID 162323974

IUPAC(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-13-18(22-6-8-23-9-7-22)25-17(21-13)15-2-4-16(5-3-15)24-12-14(10-19)11-20;/h2-5,10H,6-9,11-12,20H2,1H3;1H/b14-10+;
InChIKeyVYXFOSAHXPGQOB-KMZJGFRYSA-N
MW399.92 g/mol
LogP3.57
Rot. Bonds6

About (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride

(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 162323974) has the molecular formula C18H23ClFN3O2S and a molecular weight of 399.92 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride
PubChem CID162323974
Molecular FormulaC18H23ClFN3O2S
Molecular Weight399.92 g/mol
Exact Mass399.12
IUPAC Name(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-13-18(22-6-8-23-9-7-22)25-17(21-13)15-2-4-16(5-3-15)24-12-14(10-19)11-20;/h2-5,10H,6-9,11-12,20H2,1H3;1H/b14-10+;
InChIKeyVYXFOSAHXPGQOB-KMZJGFRYSA-N
XLogP3.57
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
CID 146512195
(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512161
(Z)-3-fluoro-2-[[4-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 162369065
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 146427574
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;2,2,2-trifluoroacetic acid
CID 175346300
(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 137473553
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 72947523
(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876
(E)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162324885
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride (CID 162323974) is (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride is Cc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1.Cl.
What is the InChIKey of (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is VYXFOSAHXPGQOB-KMZJGFRYSA-N. The full InChI is InChI=1S/C18H22FN3O2S.ClH/c1-13-18(22-6-8-23-9-7-22)25-17(21-13)15-2-4-16(5-3-15)24-12-14(10-19)11-20;/h2-5,10H,6-9,11-12,20H2,1H3;1H/b14-10+;.
What are the key properties of (E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride?
(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.57, 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-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 162323974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).