methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate

C5H6N2O4S2 — CID 15077126

IUPACmethyl 5-sulfamoyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(N)(=O)=O
InChIInChI=1S/C5H6N2O4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3,(H2,6,9,10)
InChIKeyBPLOHXUVMDRKPV-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.42
Rot. Bonds2

About methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate

methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate (PubChem CID 15077126) has the molecular formula C5H6N2O4S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-sulfamoyl-1,3-thiazole-4-carboxylate
PubChem CID15077126
Molecular FormulaC5H6N2O4S2
Molecular Weight222.25 g/mol
Exact Mass221.98
IUPAC Namemethyl 5-sulfamoyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(N)(=O)=O
InChIInChI=1S/C5H6N2O4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3,(H2,6,9,10)
InChIKeyBPLOHXUVMDRKPV-UHFFFAOYSA-N
XLogP-0.42
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate (CID 15077126) is methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(N)(=O)=O.
What is the InChIKey of methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate?
The InChIKey is BPLOHXUVMDRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3,(H2,6,9,10).
What are the key properties of methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate?
methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate has a molecular weight of 222.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15077126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).