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

C10H9BrN2O4S3 — CID 102748167

IUPACmethyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H9BrN2O4S3/c1-5-4-18-7(9(14)17-2)8(5)20(15,16)13-10-12-3-6(11)19-10/h3-4H,1-2H3,(H,12,13)
InChIKeyMWFJDFIOTHAQEC-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.86
Rot. Bonds4

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

methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748167) has the molecular formula C10H9BrN2O4S3 and a molecular weight of 397.30 g/mol. Its IUPAC name is methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748167
Molecular FormulaC10H9BrN2O4S3
Molecular Weight397.30 g/mol
Exact Mass395.89
IUPAC Namemethyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H9BrN2O4S3/c1-5-4-18-7(9(14)17-2)8(5)20(15,16)13-10-12-3-6(11)19-10/h3-4H,1-2H3,(H,12,13)
InChIKeyMWFJDFIOTHAQEC-UHFFFAOYSA-N
XLogP2.86
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

N-(5-bromothiazol-2-ylcarbamoyl)-5-(methoxymethyl)-4-methylthiophene-2-sulfonamide
CID 24752788
Methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
3-Methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314385
5-[(5-Bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907331
5-[(5-Bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60784324
3-[(5-Bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60784960
4-[(5-Bromo-1,3-thiazol-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329042
4-[(5-Bromo-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617151
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 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102747582
Methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102747671

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748167) is methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is MWFJDFIOTHAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4S3/c1-5-4-18-7(9(14)17-2)8(5)20(15,16)13-10-12-3-6(11)19-10/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 397.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).