4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide

C5H4N2O4S2 — CID 114770680

IUPAC4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N=C=O
InChIInChI=1S/C5H4N2O4S2/c1-3-4(12-5(9)7-3)13(10,11)6-2-8/h1H3,(H,7,9)
InChIKeyCTCZYWGGXZNLDY-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.23
Rot. Bonds2

About 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 114770680) has the molecular formula C5H4N2O4S2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide
PubChem CID114770680
Molecular FormulaC5H4N2O4S2
Molecular Weight220.23 g/mol
Exact Mass219.96
IUPAC Name4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N=C=O
InChIInChI=1S/C5H4N2O4S2/c1-3-4(12-5(9)7-3)13(10,11)6-2-8/h1H3,(H,7,9)
InChIKeyCTCZYWGGXZNLDY-UHFFFAOYSA-N
XLogP-0.23
TPSA96.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide (CID 114770680) is 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N=C=O.
What is the InChIKey of 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CTCZYWGGXZNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4S2/c1-3-4(12-5(9)7-3)13(10,11)6-2-8/h1H3,(H,7,9).
What are the key properties of 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 220.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(oxomethylidene)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114770680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).