1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine

C11H11FN2S2 — CID 61220267

IUPAC1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1nccs1
InChIInChI=1S/C11H11FN2S2/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3
InChIKeyPUEGRLWXDKTDOW-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine

1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 61220267) has the molecular formula C11H11FN2S2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
PubChem CID61220267
Molecular FormulaC11H11FN2S2
Molecular Weight254.36 g/mol
Exact Mass254.03
IUPAC Name1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1nccs1
InChIInChI=1S/C11H11FN2S2/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3
InChIKeyPUEGRLWXDKTDOW-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(R)-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine
CID 177693341
N'-benzyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]sulfamide
CID 56878722
4,4,4-trifluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butan-2-amine
CID 145978746
(S)-2-phenyl-1-(thiazol-2-yl)ethanamine
CID 10198148
2-[(4-Fluorophenyl)methyl]-1,3-thiazole
CID 57428845
US20250115569, Example 81
CID 176509340
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 165979197
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 165996547
3-(4-Fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 90980920
(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 11218246

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine (CID 61220267) is 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine is CC(N)c1c(F)cccc1Sc1nccs1.
What is the InChIKey of 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is PUEGRLWXDKTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S2/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3.
What are the key properties of 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine?
1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 254.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 61220267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).