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

C11H11FN2O2S2 — CID 90837259

IUPAC5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(Cc2cnc(N)s2)cc1F
InChIInChI=1S/C11H11FN2O2S2/c1-18(15,16)10-3-2-7(5-9(10)12)4-8-6-14-11(13)17-8/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyPQAVHHXSJGMQSY-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.86
Rot. Bonds3

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

5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 90837259) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID90837259
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(Cc2cnc(N)s2)cc1F
InChIInChI=1S/C11H11FN2O2S2/c1-18(15,16)10-3-2-7(5-9(10)12)4-8-6-14-11(13)17-8/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeyPQAVHHXSJGMQSY-UHFFFAOYSA-N
XLogP1.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine (CID 90837259) is 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine is CS(=O)(=O)c1ccc(Cc2cnc(N)s2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PQAVHHXSJGMQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-18(15,16)10-3-2-7(5-9(10)12)4-8-6-14-11(13)17-8/h2-3,5-6H,4H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 286.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90837259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).