N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide

C7H11N3O3S2 — CID 175736198

IUPACN-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide
SMILES[2H]C([2H])([2H])c1nc(N(C)C(C)=O)sc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O3S2/c1-4-6(15(8,12)13)14-7(9-4)10(3)5(2)11/h1-3H3,(H2,8,12,13)/i1D3
InChIKeyAMPZXUKXLQXRJO-FIBGUPNXSA-N
MW252.34 g/mol
LogP0.08
Rot. Bonds3

About N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide

N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 175736198) has the molecular formula C7H11N3O3S2 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID175736198
Molecular FormulaC7H11N3O3S2
Molecular Weight252.34 g/mol
Exact Mass252.04
IUPAC NameN-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide
SMILES[2H]C([2H])([2H])c1nc(N(C)C(C)=O)sc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O3S2/c1-4-6(15(8,12)13)14-7(9-4)10(3)5(2)11/h1-3H3,(H2,8,12,13)/i1D3
InChIKeyAMPZXUKXLQXRJO-FIBGUPNXSA-N
XLogP0.08
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide (CID 175736198) is N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide is [2H]C([2H])([2H])c1nc(N(C)C(C)=O)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AMPZXUKXLQXRJO-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H11N3O3S2/c1-4-6(15(8,12)13)14-7(9-4)10(3)5(2)11/h1-3H3,(H2,8,12,13)/i1D3.
What are the key properties of N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-sulfamoyl-4-(trideuteriomethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175736198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).