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

C18H22FN3O2S — CID 146512016

IUPAC(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1
InChIInChI=1S/C18H22FN3O2S/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/b14-10+
InChIKeyOCMZZBNLFJDCNE-GXDHUFHOSA-N
MW363.46 g/mol
LogP3.15
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

(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512016) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 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.

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
PubChem CID146512016
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
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
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1
InChIInChI=1S/C18H22FN3O2S/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/b14-10+
InChIKeyOCMZZBNLFJDCNE-GXDHUFHOSA-N
XLogP3.15
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
CID 10455872
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512010
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
(Z)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369072
(Z)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369079
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
2-Phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
CID 14146330
2-{1-(4-Ethoxybenzyl)-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16188238

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?
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 (CID 146512016) is (E)-3-fluoro-2-[[4-(4-methyl-5-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-methyl-5-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-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is Cc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1N1CCOCC1.
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?
The InChIKey is OCMZZBNLFJDCNE-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H22FN3O2S/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/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?
(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 363.46 g/mol, XLogP of 3.15, 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 is sourced from PubChem (CID 146512016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).