methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate

C12H12N2O5S2 — CID 107734039

IUPACmethyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O5S2/c1-14(8-3-5-9(15)6-4-8)21(17,18)12-10(11(16)19-2)13-7-20-12/h3-7,15H,1-2H3
InChIKeyHVPMWEHBPSYVSY-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.46
Rot. Bonds4

About methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 107734039) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID107734039
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Namemethyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O5S2/c1-14(8-3-5-9(15)6-4-8)21(17,18)12-10(11(16)19-2)13-7-20-12/h3-7,15H,1-2H3
InChIKeyHVPMWEHBPSYVSY-UHFFFAOYSA-N
XLogP1.46
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate (CID 107734039) is methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is HVPMWEHBPSYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-14(8-3-5-9(15)6-4-8)21(17,18)12-10(11(16)19-2)13-7-20-12/h3-7,15H,1-2H3.
What are the key properties of methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).