4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine

C6H11N3O2S2 — CID 103363369

IUPAC4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC
InChIInChI=1S/C6H11N3O2S2/c1-3-13(10,11)4-5(7)9-12-6(4)8-2/h8H,3H2,1-2H3,(H2,7,9)
InChIKeyGFLSKVRRNWYWCC-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.56
Rot. Bonds3

About 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103363369) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103363369
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC
InChIInChI=1S/C6H11N3O2S2/c1-3-13(10,11)4-5(7)9-12-6(4)8-2/h8H,3H2,1-2H3,(H2,7,9)
InChIKeyGFLSKVRRNWYWCC-UHFFFAOYSA-N
XLogP0.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
5-N-but-3-enyl-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365459
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359730
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150457

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103363369) is 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC.
What is the InChIKey of 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is GFLSKVRRNWYWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-3-13(10,11)4-5(7)9-12-6(4)8-2/h8H,3H2,1-2H3,(H2,7,9).
What are the key properties of 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).