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

C11H11FN2O2S2 — CID 87771737

IUPAC5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(S(=O)(=O)CF)c1
InChIInChI=1S/C11H11FN2O2S2/c1-7-10(17-11(13)14-7)8-3-2-4-9(5-8)18(15,16)6-12/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyMNMOVHLRQSJYTE-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.40
Rot. Bonds3

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

5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 87771737) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID87771737
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(S(=O)(=O)CF)c1
InChIInChI=1S/C11H11FN2O2S2/c1-7-10(17-11(13)14-7)8-3-2-4-9(5-8)18(15,16)6-12/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyMNMOVHLRQSJYTE-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine (CID 87771737) is 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cccc(S(=O)(=O)CF)c1.
What is the InChIKey of 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MNMOVHLRQSJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-7-10(17-11(13)14-7)8-3-2-4-9(5-8)18(15,16)6-12/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 286.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87771737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).