3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine

C10H9FN2OS — CID 67181531

IUPAC3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine
SMILESCOc1ccc(-c2cc(N)sn2)cc1F
InChIInChI=1S/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-10(12)15-13-8/h2-5H,12H2,1H3
InChIKeyLINWMMMTASIKET-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.54
Rot. Bonds2

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

3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine (PubChem CID 67181531) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine
PubChem CID67181531
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine
SMILESCOc1ccc(-c2cc(N)sn2)cc1F
InChIInChI=1S/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-10(12)15-13-8/h2-5H,12H2,1H3
InChIKeyLINWMMMTASIKET-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine (CID 67181531) is 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine is COc1ccc(-c2cc(N)sn2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine?
The InChIKey is LINWMMMTASIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-10(12)15-13-8/h2-5H,12H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine?
3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine has a molecular weight of 224.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 67181531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).