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

C4H6N2O2S2 — CID 117189190

IUPAC2-methylsulfonyl-1,3-thiazol-4-amine
SMILESCS(=O)(=O)c1nc(N)cs1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)4-6-3(5)2-9-4/h2H,5H2,1H3
InChIKeyMWVJAFQDFRWINV-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.13
Rot. Bonds1

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

2-methylsulfonyl-1,3-thiazol-4-amine (PubChem CID 117189190) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methylsulfonyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1,3-thiazol-4-amine
PubChem CID117189190
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC Name2-methylsulfonyl-1,3-thiazol-4-amine
SMILESCS(=O)(=O)c1nc(N)cs1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)4-6-3(5)2-9-4/h2H,5H2,1H3
InChIKeyMWVJAFQDFRWINV-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 2-methylsulfonyl-1,3-thiazol-4-amine?
The IUPAC name of 2-methylsulfonyl-1,3-thiazol-4-amine (CID 117189190) is 2-methylsulfonyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-methylsulfonyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-methylsulfonyl-1,3-thiazol-4-amine is CS(=O)(=O)c1nc(N)cs1.
What is the InChIKey of 2-methylsulfonyl-1,3-thiazol-4-amine?
The InChIKey is MWVJAFQDFRWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-10(7,8)4-6-3(5)2-9-4/h2H,5H2,1H3.
What are the key properties of 2-methylsulfonyl-1,3-thiazol-4-amine?
2-methylsulfonyl-1,3-thiazol-4-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 2-methylsulfonyl-1,3-thiazol-4-amine is sourced from PubChem (CID 117189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).