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

C9H7FN2OS — CID 87572205

IUPAC5-(4-fluorophenoxy)-1,3-thiazol-2-amine
SMILESNc1ncc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C9H7FN2OS/c10-6-1-3-7(4-2-6)13-8-5-12-9(11)14-8/h1-5H,(H2,11,12)
InChIKeySKRSDSDGMXWKBW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.66
Rot. Bonds2

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

5-(4-fluorophenoxy)-1,3-thiazol-2-amine (PubChem CID 87572205) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-1,3-thiazol-2-amine
PubChem CID87572205
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name5-(4-fluorophenoxy)-1,3-thiazol-2-amine
SMILESNc1ncc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C9H7FN2OS/c10-6-1-3-7(4-2-6)13-8-5-12-9(11)14-8/h1-5H,(H2,11,12)
InChIKeySKRSDSDGMXWKBW-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorophenoxy)-1,3-thiazol-2-amine (CID 87572205) is 5-(4-fluorophenoxy)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenoxy)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenoxy)-1,3-thiazol-2-amine is Nc1ncc(Oc2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenoxy)-1,3-thiazol-2-amine?
The InChIKey is SKRSDSDGMXWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-6-1-3-7(4-2-6)13-8-5-12-9(11)14-8/h1-5H,(H2,11,12).
What are the key properties of 5-(4-fluorophenoxy)-1,3-thiazol-2-amine?
5-(4-fluorophenoxy)-1,3-thiazol-2-amine has a molecular weight of 210.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-1,3-thiazol-2-amine is sourced from PubChem (CID 87572205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).