methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate

C9H8N2O4S3 — CID 25044512

IUPACmethyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8N2O4S3/c1-15-8(12)7-6(2-4-16-7)18(13,14)11-9-10-3-5-17-9/h2-5H,1H3,(H,10,11)
InChIKeySZWYHTJLFXZZCJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate

methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 25044512) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID25044512
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Namemethyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8N2O4S3/c1-15-8(12)7-6(2-4-16-7)18(13,14)11-9-10-3-5-17-9/h2-5H,1H3,(H,10,11)
InChIKeySZWYHTJLFXZZCJ-UHFFFAOYSA-N
XLogP1.79
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate (CID 25044512) is methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is SZWYHTJLFXZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c1-15-8(12)7-6(2-4-16-7)18(13,14)11-9-10-3-5-17-9/h2-5H,1H3,(H,10,11).
What are the key properties of methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 25044512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).