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

C11H11FN2OS — CID 2050022

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyTWNHPZYHAHMIPB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.49
Rot. Bonds4

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

4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 2050022) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID2050022
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyTWNHPZYHAHMIPB-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine (CID 2050022) is 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCOc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is TWNHPZYHAHMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,7H,5-6H2,(H2,13,14).
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine?
4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).