N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide

C6H8N2O3S2 — CID 518313

IUPACN-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cnc(S(C)(=O)=O)s1
InChIInChI=1S/C6H8N2O3S2/c1-4(9)8-5-3-7-6(12-5)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyVIIYGBWERIGQKQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.50
Rot. Bonds2

About N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide

N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide (PubChem CID 518313) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide
PubChem CID518313
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC NameN-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cnc(S(C)(=O)=O)s1
InChIInChI=1S/C6H8N2O3S2/c1-4(9)8-5-3-7-6(12-5)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyVIIYGBWERIGQKQ-UHFFFAOYSA-N
XLogP0.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide (CID 518313) is N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide is CC(=O)Nc1cnc(S(C)(=O)=O)s1.
What is the InChIKey of N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is VIIYGBWERIGQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c1-4(9)8-5-3-7-6(12-5)13(2,10)11/h3H,1-2H3,(H,8,9).
What are the key properties of N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide?
N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 220.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 518313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).