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

C15H17FN2OS — CID 146512010

IUPAC(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1C
InChIInChI=1S/C15H17FN2OS/c1-10-11(2)20-15(18-10)13-3-5-14(6-4-13)19-9-12(7-16)8-17/h3-7H,8-9,17H2,1-2H3/b12-7+
InChIKeyUOSIGUHTQCJDAG-KPKJPENVSA-N
MW292.38 g/mol
LogP3.62
Rot. Bonds5

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

(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 146512010) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID146512010
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1C
InChIInChI=1S/C15H17FN2OS/c1-10-11(2)20-15(18-10)13-3-5-14(6-4-13)19-9-12(7-16)8-17/h3-7H,8-9,17H2,1-2H3/b12-7+
InChIKeyUOSIGUHTQCJDAG-KPKJPENVSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 146512010) is (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is Cc1nc(-c2ccc(OC/C(=C/F)CN)cc2)sc1C.
What is the InChIKey of (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is UOSIGUHTQCJDAG-KPKJPENVSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10-11(2)20-15(18-10)13-3-5-14(6-4-13)19-9-12(7-16)8-17/h3-7H,8-9,17H2,1-2H3/b12-7+.
What are the key properties of (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 146512010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).