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

C15H17FN2S — CID 63242564

IUPAC3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCc3nccs3)C2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-11(2-4-13)12-9-14(10-12)17-6-5-15-18-7-8-19-15/h1-4,7-8,12,14,17H,5-6,9-10H2
InChIKeyGPCIBGLVCCVHIF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 63242564) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID63242564
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCCc3nccs3)C2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-11(2-4-13)12-9-14(10-12)17-6-5-15-18-7-8-19-15/h1-4,7-8,12,14,17H,5-6,9-10H2
InChIKeyGPCIBGLVCCVHIF-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 63242564) is 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is Fc1ccc(C2CC(NCCc3nccs3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is GPCIBGLVCCVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-1-11(2-4-13)12-9-14(10-12)17-6-5-15-18-7-8-19-15/h1-4,7-8,12,14,17H,5-6,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63242564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).