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

C14H15FN2OS — CID 146512035

IUPAC(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1csc(-c2ccc(OC/C(=C/F)CN)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6+
InChIKeyRYCQPKZMPHKRJC-IZZDOVSWSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds5

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

(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512035) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512035
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1csc(-c2ccc(OC/C(=C/F)CN)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6+
InChIKeyRYCQPKZMPHKRJC-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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512035) is (E)-3-fluoro-2-[[4-(4-methyl-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-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is Cc1csc(-c2ccc(OC/C(=C/F)CN)cc2)n1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is RYCQPKZMPHKRJC-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6+.
What are the key properties of (E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).