N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C6H10N2O4S2 — CID 60724929

IUPACN-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCONS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C6H10N2O4S2/c1-3-12-8-14(10,11)5-4(2)7-6(9)13-5/h8H,3H2,1-2H3,(H,7,9)
InChIKeySXCFQWNXKRKTNJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds4

About N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724929) has the molecular formula C6H10N2O4S2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724929
Molecular FormulaC6H10N2O4S2
Molecular Weight238.29 g/mol
Exact Mass238.01
IUPAC NameN-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCONS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C6H10N2O4S2/c1-3-12-8-14(10,11)5-4(2)7-6(9)13-5/h8H,3H2,1-2H3,(H,7,9)
InChIKeySXCFQWNXKRKTNJ-UHFFFAOYSA-N
XLogP-0.03
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724929) is N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCONS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SXCFQWNXKRKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S2/c1-3-12-8-14(10,11)5-4(2)7-6(9)13-5/h8H,3H2,1-2H3,(H,7,9).
What are the key properties of N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 238.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).