2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine

C16H19FN2S — CID 146532831

IUPAC2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine
SMILESC=C(C)CCc1nc(C(N)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C16H19FN2S/c1-11(2)3-8-16-19-15(10-20-16)14(18)9-12-4-6-13(17)7-5-12/h4-7,10,14H,1,3,8-9,18H2,2H3
InChIKeyUOCTXOAHEILKTJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine

2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 146532831) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID146532831
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine
SMILESC=C(C)CCc1nc(C(N)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C16H19FN2S/c1-11(2)3-8-16-19-15(10-20-16)14(18)9-12-4-6-13(17)7-5-12/h4-7,10,14H,1,3,8-9,18H2,2H3
InChIKeyUOCTXOAHEILKTJ-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine (CID 146532831) is 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine is C=C(C)CCc1nc(C(N)Cc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is UOCTXOAHEILKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11(2)3-8-16-19-15(10-20-16)14(18)9-12-4-6-13(17)7-5-12/h4-7,10,14H,1,3,8-9,18H2,2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine?
2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(3-methylbut-3-enyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 146532831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).