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

C12H14N2O4S3 — CID 122150620

IUPACmethyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCc1cnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1
InChIInChI=1S/C12H14N2O4S3/c1-4-8-5-13-12(20-8)14-21(16,17)10-7(2)6-19-9(10)11(15)18-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyOLMLIQWLLNDIFL-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.66
Rot. Bonds5

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

methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 122150620) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID122150620
Molecular FormulaC12H14N2O4S3
Molecular Weight346.46 g/mol
Exact Mass346.01
IUPAC Namemethyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCc1cnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1
InChIInChI=1S/C12H14N2O4S3/c1-4-8-5-13-12(20-8)14-21(16,17)10-7(2)6-19-9(10)11(15)18-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyOLMLIQWLLNDIFL-UHFFFAOYSA-N
XLogP2.66
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102747582
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851
methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748048
methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749094
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748842
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-(3-hydroxypentylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749328
methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749359
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 122150620) is methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is CCc1cnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1.
What is the InChIKey of methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is OLMLIQWLLNDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c1-4-8-5-13-12(20-8)14-21(16,17)10-7(2)6-19-9(10)11(15)18-3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 346.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 122150620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).