3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile

C7H10N4O2S2 — CID 103383141

IUPAC3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCS(=O)(=O)CCNc1snc(N)c1C#N
InChIInChI=1S/C7H10N4O2S2/c1-15(12,13)3-2-10-7-5(4-8)6(9)11-14-7/h10H,2-3H2,1H3,(H2,9,11)
InChIKeyPKKWUFBKSCYTFH-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.05
Rot. Bonds4

About 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 103383141) has the molecular formula C7H10N4O2S2 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID103383141
Molecular FormulaC7H10N4O2S2
Molecular Weight246.32 g/mol
Exact Mass246.02
IUPAC Name3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCS(=O)(=O)CCNc1snc(N)c1C#N
InChIInChI=1S/C7H10N4O2S2/c1-15(12,13)3-2-10-7-5(4-8)6(9)11-14-7/h10H,2-3H2,1H3,(H2,9,11)
InChIKeyPKKWUFBKSCYTFH-UHFFFAOYSA-N
XLogP0.05
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile (CID 103383141) is 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile is CS(=O)(=O)CCNc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is PKKWUFBKSCYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S2/c1-15(12,13)3-2-10-7-5(4-8)6(9)11-14-7/h10H,2-3H2,1H3,(H2,9,11).
What are the key properties of 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 246.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103383141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).