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

C11H11FN2O2S2 — CID 57351277

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H11FN2O2S2/c1-6-10(17-11(13)14-6)7-3-4-9(8(12)5-7)18(2,15)16/h3-5H,1-2H3,(H2,13,14)
InChIKeyCVFIJYWRPAZCAK-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.24
Rot. Bonds2

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

5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 57351277) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID57351277
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H11FN2O2S2/c1-6-10(17-11(13)14-6)7-3-4-9(8(12)5-7)18(2,15)16/h3-5H,1-2H3,(H2,13,14)
InChIKeyCVFIJYWRPAZCAK-UHFFFAOYSA-N
XLogP2.24
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.24
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)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine (CID 57351277) is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CVFIJYWRPAZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-6-10(17-11(13)14-6)7-3-4-9(8(12)5-7)18(2,15)16/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine?
5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.24, 2 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)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 57351277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).