5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C6H11N3O2S2 — CID 103381332

IUPAC5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN(C)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C6H11N3O2S2/c1-9(2)6-4(13(3,10)11)5(7)8-12-6/h1-3H3,(H2,7,8)
InChIKeyUOVFZVGGUMVVBZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.19
Rot. Bonds2

About 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103381332) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103381332
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN(C)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C6H11N3O2S2/c1-9(2)6-4(13(3,10)11)5(7)8-12-6/h1-3H3,(H2,7,8)
InChIKeyUOVFZVGGUMVVBZ-UHFFFAOYSA-N
XLogP0.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103381332) is 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CN(C)c1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is UOVFZVGGUMVVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-9(2)6-4(13(3,10)11)5(7)8-12-6/h1-3H3,(H2,7,8).
What are the key properties of 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).