5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine

C10H9FN2OS — CID 79775144

IUPAC5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2OS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2,(H2,12,13)
InChIKeyLPDQIPIBOOXQPA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.44
Rot. Bonds3

About 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine

5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79775144) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79775144
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2OS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2,(H2,12,13)
InChIKeyLPDQIPIBOOXQPA-UHFFFAOYSA-N
XLogP2.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine (CID 79775144) is 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is LPDQIPIBOOXQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-7-1-3-8(4-2-7)14-6-9-5-13-10(12)15-9/h1-5H,6H2,(H2,12,13).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 224.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).