4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine

C11H11FN2S — CID 175701851

IUPAC4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(c1cccc(F)c1)c1csc(N)n1
InChIInChI=1S/C11H11FN2S/c1-7(10-6-15-11(13)14-10)8-3-2-4-9(12)5-8/h2-7H,1H3,(H2,13,14)
InChIKeyCSDUGMXDDJSNOC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.02
Rot. Bonds2

About 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine

4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 175701851) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID175701851
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(c1cccc(F)c1)c1csc(N)n1
InChIInChI=1S/C11H11FN2S/c1-7(10-6-15-11(13)14-10)8-3-2-4-9(12)5-8/h2-7H,1H3,(H2,13,14)
InChIKeyCSDUGMXDDJSNOC-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 175701851) is 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine is CC(c1cccc(F)c1)c1csc(N)n1.
What is the InChIKey of 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CSDUGMXDDJSNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7(10-6-15-11(13)14-10)8-3-2-4-9(12)5-8/h2-7H,1H3,(H2,13,14).
What are the key properties of 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175701851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).