4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H17FN2S — CID 54964577

IUPAC4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C13H17FN2S/c1-3-12-8-17-13(16-12)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)
InChIKeyXAANBQUURJORCG-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.36
Rot. Bonds3

About 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54964577) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54964577
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC Name4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C13H17FN2S/c1-3-12-8-17-13(16-12)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)
InChIKeyXAANBQUURJORCG-UHFFFAOYSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 54964577) is 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)c2cccc(F)c2)=N1.
What is the InChIKey of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XAANBQUURJORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-3-12-8-17-13(16-12)15-9(2)10-5-4-6-11(14)7-10/h4-7,9,12H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54964577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).