1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine

C9H16N2O2S2 — CID 116633080

IUPAC1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C(C)S(C)(=O)=O)sc1C(C)N
InChIInChI=1S/C9H16N2O2S2/c1-5(10)8-6(2)11-9(14-8)7(3)15(4,12)13/h5,7H,10H2,1-4H3
InChIKeyRJXWXDVBZGONSC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds3

About 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 116633080) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID116633080
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C(C)S(C)(=O)=O)sc1C(C)N
InChIInChI=1S/C9H16N2O2S2/c1-5(10)8-6(2)11-9(14-8)7(3)15(4,12)13/h5,7H,10H2,1-4H3
InChIKeyRJXWXDVBZGONSC-UHFFFAOYSA-N
XLogP1.58
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine (CID 116633080) is 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(C(C)S(C)(=O)=O)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RJXWXDVBZGONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-5(10)8-6(2)11-9(14-8)7(3)15(4,12)13/h5,7H,10H2,1-4H3.
What are the key properties of 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 116633080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).