5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine

C6H11N3O2S2 — CID 103364233

IUPAC5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)CCNc1cc(N)ns1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-8-6-4-5(7)9-12-6/h4,8H,2-3H2,1H3,(H2,7,9)
InChIKeyOGMGPNMBCDXEFM-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.18
Rot. Bonds4

About 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine

5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364233) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364233
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)CCNc1cc(N)ns1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-8-6-4-5(7)9-12-6/h4,8H,2-3H2,1H3,(H2,7,9)
InChIKeyOGMGPNMBCDXEFM-UHFFFAOYSA-N
XLogP0.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361037
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
CID 103383141
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine (CID 103364233) is 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine is CS(=O)(=O)CCNc1cc(N)ns1.
What is the InChIKey of 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OGMGPNMBCDXEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-8-6-4-5(7)9-12-6/h4,8H,2-3H2,1H3,(H2,7,9).
What are the key properties of 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine?
5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).