3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C9H9N3O4S3 — CID 19029493

IUPAC3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1nnc(NS(=O)(=O)c2ccsc2C(=O)O)s1
InChIInChI=1S/C9H9N3O4S3/c1-2-6-10-11-9(18-6)12-19(15,16)5-3-4-17-7(5)8(13)14/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeySUJZJANGYGSWNR-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.66
Rot. Bonds5

About 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 19029493) has the molecular formula C9H9N3O4S3 and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID19029493
Molecular FormulaC9H9N3O4S3
Molecular Weight319.39 g/mol
Exact Mass318.98
IUPAC Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1nnc(NS(=O)(=O)c2ccsc2C(=O)O)s1
InChIInChI=1S/C9H9N3O4S3/c1-2-6-10-11-9(18-6)12-19(15,16)5-3-4-17-7(5)8(13)14/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeySUJZJANGYGSWNR-UHFFFAOYSA-N
XLogP1.66
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
CID 107641501
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 60709101
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 19029493) is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CCc1nnc(NS(=O)(=O)c2ccsc2C(=O)O)s1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SUJZJANGYGSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S3/c1-2-6-10-11-9(18-6)12-19(15,16)5-3-4-17-7(5)8(13)14/h3-4H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 319.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 19029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).