3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C10H11N3O4S2 — CID 81428599

IUPAC3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H11N3O4S2/c1-5-7(9(14)15)12-6(2)8(5)19(16,17)13-10-11-3-4-18-10/h3-4,12H,1-2H3,(H,11,13)(H,14,15)
InChIKeyQXOXTNFDYSNUIU-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds4

About 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 81428599) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID81428599
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H11N3O4S2/c1-5-7(9(14)15)12-6(2)8(5)19(16,17)13-10-11-3-4-18-10/h3-4,12H,1-2H3,(H,11,13)(H,14,15)
InChIKeyQXOXTNFDYSNUIU-UHFFFAOYSA-N
XLogP1.59
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(pyrimidin-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423429
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
2,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)furan-3-carboxylic acid
CID 43319867
4-[(5-bromo-2-pyridinyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428200
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423518
4-[(3-hydroxycyclobutyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81423053
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
3,5-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106395284
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 81428599) is 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is QXOXTNFDYSNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-5-7(9(14)15)12-6(2)8(5)19(16,17)13-10-11-3-4-18-10/h3-4,12H,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).