[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine

C11H12N2O2S2 — CID 155549747

IUPAC[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cccc(-c2cnc(CN)s2)c1
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)9-4-2-3-8(5-9)10-7-13-11(6-12)16-10/h2-5,7H,6,12H2,1H3
InChIKeyJGDJXJCJMNISJD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.67
Rot. Bonds3

About [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine

[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 155549747) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID155549747
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cccc(-c2cnc(CN)s2)c1
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)9-4-2-3-8(5-9)10-7-13-11(6-12)16-10/h2-5,7H,6,12H2,1H3
InChIKeyJGDJXJCJMNISJD-UHFFFAOYSA-N
XLogP1.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine (CID 155549747) is [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine is CS(=O)(=O)c1cccc(-c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is JGDJXJCJMNISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-17(14,15)9-4-2-3-8(5-9)10-7-13-11(6-12)16-10/h2-5,7H,6,12H2,1H3.
What are the key properties of [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 155549747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).