1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

C15H19FN4S — CID 43110460

IUPAC1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(c3nccs3)CC2)c(F)c1
InChIInChI=1S/C15H19FN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3
InChIKeyZRGBARKTRTXTKD-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.63
Rot. Bonds3

About 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 43110460) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
PubChem CID43110460
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(c3nccs3)CC2)c(F)c1
InChIInChI=1S/C15H19FN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3
InChIKeyZRGBARKTRTXTKD-UHFFFAOYSA-N
XLogP2.63
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (CID 43110460) is 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is CC(N)c1ccc(N2CCN(c3nccs3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is ZRGBARKTRTXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 306.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 43110460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).