1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone

C6H8N2O3S2 — CID 58170002

IUPAC1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(S(C)(=O)=O)nc1N
InChIInChI=1S/C6H8N2O3S2/c1-3(9)4-5(7)8-6(12-4)13(2,10)11/h7H2,1-2H3
InChIKeyKSKLHLNMHFQYGY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.33
Rot. Bonds2

About 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone

1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone (PubChem CID 58170002) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone
PubChem CID58170002
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC Name1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(S(C)(=O)=O)nc1N
InChIInChI=1S/C6H8N2O3S2/c1-3(9)4-5(7)8-6(12-4)13(2,10)11/h7H2,1-2H3
InChIKeyKSKLHLNMHFQYGY-UHFFFAOYSA-N
XLogP0.33
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone (CID 58170002) is 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(S(C)(=O)=O)nc1N.
What is the InChIKey of 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is KSKLHLNMHFQYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c1-3(9)4-5(7)8-6(12-4)13(2,10)11/h7H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone?
1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 58170002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).