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

C4H6N2O2S2 — CID 87416720

IUPAC4-methylsulfonyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1csc(N)n1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-9-4(5)6-3/h2H,1H3,(H2,5,6)
InChIKeyNZUHYNBINRMZCZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.13
Rot. Bonds1

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

4-methylsulfonyl-1,3-thiazol-2-amine (PubChem CID 87416720) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-methylsulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1,3-thiazol-2-amine
PubChem CID87416720
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC Name4-methylsulfonyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1csc(N)n1
InChIInChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-9-4(5)6-3/h2H,1H3,(H2,5,6)
InChIKeyNZUHYNBINRMZCZ-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

Analyze 4-methylsulfonyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methylsulfonyl-1,3-thiazol-2-amine (CID 87416720) is 4-methylsulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methylsulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methylsulfonyl-1,3-thiazol-2-amine is CS(=O)(=O)c1csc(N)n1.
What is the InChIKey of 4-methylsulfonyl-1,3-thiazol-2-amine?
The InChIKey is NZUHYNBINRMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-9-4(5)6-3/h2H,1H3,(H2,5,6).
What are the key properties of 4-methylsulfonyl-1,3-thiazol-2-amine?
4-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 4-methylsulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87416720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).