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

C11H12N2O4S3 — CID 102747671

IUPACmethyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12N2O4S3/c1-6-4-18-8(10(14)17-3)9(6)20(15,16)13-11-12-7(2)5-19-11/h4-5H,1-3H3,(H,12,13)
InChIKeyXCRSDYPXGCEMIR-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.41
Rot. Bonds4

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

methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102747671) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102747671
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Namemethyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12N2O4S3/c1-6-4-18-8(10(14)17-3)9(6)20(15,16)13-11-12-7(2)5-19-11/h4-5H,1-3H3,(H,12,13)
InChIKeyXCRSDYPXGCEMIR-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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate (CID 102747671) is methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(C)cs1.
What is the InChIKey of methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is XCRSDYPXGCEMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-6-4-18-8(10(14)17-3)9(6)20(15,16)13-11-12-7(2)5-19-11/h4-5H,1-3H3,(H,12,13).
What are the key properties of methyl 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(4-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-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102747671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).