methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate

C11H12N2O4S3 — CID 102747582

IUPACmethyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H12N2O4S3/c1-6-5-18-8(10(14)17-3)9(6)20(15,16)13-11-12-4-7(2)19-11/h4-5H,1-3H3,(H,12,13)
InChIKeyOFVZRVUCLQROIH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.41
Rot. Bonds4

About methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102747582) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102747582
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Namemethyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H12N2O4S3/c1-6-5-18-8(10(14)17-3)9(6)20(15,16)13-11-12-4-7(2)19-11/h4-5H,1-3H3,(H,12,13)
InChIKeyOFVZRVUCLQROIH-UHFFFAOYSA-N
XLogP2.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

Methyl 3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 53518918
Methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
3-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235756
3-Methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314385
3-Methyl-5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314447
Methyl 4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 53522259
5-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907609
4-[(5-Methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61073755
5-Methyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63328455
4-Methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
4-Methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747581
Methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748167

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate (CID 102747582) is methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(C)s1.
What is the InChIKey of methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is OFVZRVUCLQROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-6-5-18-8(10(14)17-3)9(6)20(15,16)13-11-12-4-7(2)19-11/h4-5H,1-3H3,(H,12,13).
What are the key properties of methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102747582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).