5-methylsulfonyl-1,3-thiazol-2-amine

C4H6N2O2S2 — CID 14931789

IUPAC5-methylsulfonyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-6-4(5)9-3/h2H,1H3,(H2,5,6)
InChIKeyYEUFRAFORHUMLC-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.13
Rot. Bonds1

About 5-methylsulfonyl-1,3-thiazol-2-amine

5-methylsulfonyl-1,3-thiazol-2-amine (PubChem CID 14931789) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methylsulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-1,3-thiazol-2-amine
PubChem CID14931789
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC Name5-methylsulfonyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-6-4(5)9-3/h2H,1H3,(H2,5,6)
InChIKeyYEUFRAFORHUMLC-UHFFFAOYSA-N
XLogP0.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-methylsulfonyl-1,3-thiazol-2-amine (CID 14931789) is 5-methylsulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methylsulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methylsulfonyl-1,3-thiazol-2-amine is CS(=O)(=O)c1cnc(N)s1.
What is the InChIKey of 5-methylsulfonyl-1,3-thiazol-2-amine?
The InChIKey is YEUFRAFORHUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-6-4(5)9-3/h2H,1H3,(H2,5,6).
What are the key properties of 5-methylsulfonyl-1,3-thiazol-2-amine?
5-methylsulfonyl-1,3-thiazol-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 14931789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).