4-ethylsulfonyl-1,3-thiazol-2-amine

C5H8N2O2S2 — CID 87416831

IUPAC4-ethylsulfonyl-1,3-thiazol-2-amine
SMILESCCS(=O)(=O)c1csc(N)n1
InChIInChI=1S/C5H8N2O2S2/c1-2-11(8,9)4-3-10-5(6)7-4/h3H,2H2,1H3,(H2,6,7)
InChIKeyXJAQWSWUDZNNCF-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.52
Rot. Bonds2

About 4-ethylsulfonyl-1,3-thiazol-2-amine

4-ethylsulfonyl-1,3-thiazol-2-amine (PubChem CID 87416831) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-ethylsulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1,3-thiazol-2-amine
PubChem CID87416831
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name4-ethylsulfonyl-1,3-thiazol-2-amine
SMILESCCS(=O)(=O)c1csc(N)n1
InChIInChI=1S/C5H8N2O2S2/c1-2-11(8,9)4-3-10-5(6)7-4/h3H,2H2,1H3,(H2,6,7)
InChIKeyXJAQWSWUDZNNCF-UHFFFAOYSA-N
XLogP0.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 4-ethylsulfonyl-1,3-thiazol-2-amine (CID 87416831) is 4-ethylsulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethylsulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethylsulfonyl-1,3-thiazol-2-amine is CCS(=O)(=O)c1csc(N)n1.
What is the InChIKey of 4-ethylsulfonyl-1,3-thiazol-2-amine?
The InChIKey is XJAQWSWUDZNNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-2-11(8,9)4-3-10-5(6)7-4/h3H,2H2,1H3,(H2,6,7).
What are the key properties of 4-ethylsulfonyl-1,3-thiazol-2-amine?
4-ethylsulfonyl-1,3-thiazol-2-amine has a molecular weight of 192.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87416831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).