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

C14H15FN2OS — CID 146512250

IUPAC(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1ncc(-c2ccc(OC/C(=C/F)CN)cc2)s1
InChIInChI=1S/C14H15FN2OS/c1-10-17-8-14(19-10)12-2-4-13(5-3-12)18-9-11(6-15)7-16/h2-6,8H,7,9,16H2,1H3/b11-6+
InChIKeyDGQOYLDNOXDZPN-IZZDOVSWSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds5

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

(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512250) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512250
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1ncc(-c2ccc(OC/C(=C/F)CN)cc2)s1
InChIInChI=1S/C14H15FN2OS/c1-10-17-8-14(19-10)12-2-4-13(5-3-12)18-9-11(6-15)7-16/h2-6,8H,7,9,16H2,1H3/b11-6+
InChIKeyDGQOYLDNOXDZPN-IZZDOVSWSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[(4-Methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 3133052
5-(4-Methoxyphenyl)-1,3-thiazol-2-amine
CID 679467
2-Chloro-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]thiazole
CID 1484591
5-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10589458
(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512010
(Z)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369023
(Z)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369079
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
1-(2-(2-Ethoxyphenyl)-1-(thiazol-5-yl)ethyl)piperazine
CID 44414749
2-Chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole
CID 1474888
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
(S)-2-Amino-2-(5-(4-(octyloxy)-3-(trifluoromethyl)phenyl)thiazol-2-yl)propan-1-ol
CID 25060423

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512250) is (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is Cc1ncc(-c2ccc(OC/C(=C/F)CN)cc2)s1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is DGQOYLDNOXDZPN-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10-17-8-14(19-10)12-2-4-13(5-3-12)18-9-11(6-15)7-16/h2-6,8H,7,9,16H2,1H3/b11-6+.
What are the key properties of (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).