5-methyl-1-sulfonyl-1,3-thiazol-2-amine

C4H6N2O2S2 — CID 70561053

IUPAC5-methyl-1-sulfonyl-1,3-thiazol-2-amine
SMILESCC1=CN=C(N)S1=S(=O)=O
InChIInChI=1S/C4H6N2O2S2/c1-3-2-6-4(5)9(3)10(7)8/h2H,1H3,(H2,5,6)
InChIKeyHZIXYHCBTSLZFP-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.41
Rot. Bonds

About 5-methyl-1-sulfonyl-1,3-thiazol-2-amine

5-methyl-1-sulfonyl-1,3-thiazol-2-amine (PubChem CID 70561053) has the molecular formula C4H6N2O2S2 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methyl-1-sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-sulfonyl-1,3-thiazol-2-amine
PubChem CID70561053
Molecular FormulaC4H6N2O2S2
Molecular Weight178.24 g/mol
Exact Mass177.99
IUPAC Name5-methyl-1-sulfonyl-1,3-thiazol-2-amine
SMILESCC1=CN=C(N)S1=S(=O)=O
InChIInChI=1S/C4H6N2O2S2/c1-3-2-6-4(5)9(3)10(7)8/h2H,1H3,(H2,5,6)
InChIKeyHZIXYHCBTSLZFP-UHFFFAOYSA-N
XLogP-0.41
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-1-sulfonyl-1,3-thiazol-2-amine (CID 70561053) is 5-methyl-1-sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-1-sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-1-sulfonyl-1,3-thiazol-2-amine is CC1=CN=C(N)S1=S(=O)=O.
What is the InChIKey of 5-methyl-1-sulfonyl-1,3-thiazol-2-amine?
The InChIKey is HZIXYHCBTSLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S2/c1-3-2-6-4(5)9(3)10(7)8/h2H,1H3,(H2,5,6).
What are the key properties of 5-methyl-1-sulfonyl-1,3-thiazol-2-amine?
5-methyl-1-sulfonyl-1,3-thiazol-2-amine has a molecular weight of 178.24 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 70561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).