1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine

C12H14N2O2S2 — CID 3686493

IUPAC1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C12H14N2O2S2/c1-8(13)12-14-11(7-17-12)9-3-5-10(6-4-9)18(2,15)16/h3-8H,13H2,1-2H3
InChIKeyVJTCAHSUVPFZQA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.23
Rot. Bonds3

About 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3686493) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3686493
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C12H14N2O2S2/c1-8(13)12-14-11(7-17-12)9-3-5-10(6-4-9)18(2,15)16/h3-8H,13H2,1-2H3
InChIKeyVJTCAHSUVPFZQA-UHFFFAOYSA-N
XLogP2.23
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3686493) is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is VJTCAHSUVPFZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8(13)12-14-11(7-17-12)9-3-5-10(6-4-9)18(2,15)16/h3-8H,13H2,1-2H3.
What are the key properties of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3686493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).