5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane

C9H16N4O4S2 — CID 21399271

IUPAC5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane
SMILESCC.CN(C)C(=O)Nc1s[nH]c(=S(=O)=O)c1C(N)=O
InChIInChI=1S/C7H10N4O4S2.C2H6/c1-11(2)7(13)9-5-3(4(8)12)6(10-16-5)17(14)15;1-2/h10H,1-2H3,(H2,8,12)(H,9,13);1-2H3
InChIKeyXLVJHMITXKGKRJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.71
Rot. Bonds2

About 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane

5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane (PubChem CID 21399271) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane
PubChem CID21399271
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane
SMILESCC.CN(C)C(=O)Nc1s[nH]c(=S(=O)=O)c1C(N)=O
InChIInChI=1S/C7H10N4O4S2.C2H6/c1-11(2)7(13)9-5-3(4(8)12)6(10-16-5)17(14)15;1-2/h10H,1-2H3,(H2,8,12)(H,9,13);1-2H3
InChIKeyXLVJHMITXKGKRJ-UHFFFAOYSA-N
XLogP0.71
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane (CID 21399271) is 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane is CC.CN(C)C(=O)Nc1s[nH]c(=S(=O)=O)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane?
The InChIKey is XLVJHMITXKGKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S2.C2H6/c1-11(2)7(13)9-5-3(4(8)12)6(10-16-5)17(14)15;1-2/h10H,1-2H3,(H2,8,12)(H,9,13);1-2H3.
What are the key properties of 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane?
5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane has a molecular weight of 308.39 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-sulfonyl-1,2-thiazole-4-carboxamide;ethane is sourced from PubChem (CID 21399271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).