5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C9H10N4O4S2 — CID 104617669

IUPAC5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-2-5-3-11-12-7(5)13-19(16,17)9-6(8(14)15)10-4-18-9/h3-4H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyMPZTYQMGVZZYLO-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.93
Rot. Bonds5

About 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 104617669) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID104617669
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-2-5-3-11-12-7(5)13-19(16,17)9-6(8(14)15)10-4-18-9/h3-4H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyMPZTYQMGVZZYLO-UHFFFAOYSA-N
XLogP0.93
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617510
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414971
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617678
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667
5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107596866
N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
CID 104620984
N-(4-ethyl-1H-pyrazol-5-yl)butane-1-sulfonamide
CID 104621048
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 104617669) is 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is CCc1cn[nH]c1NS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MPZTYQMGVZZYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c1-2-5-3-11-12-7(5)13-19(16,17)9-6(8(14)15)10-4-18-9/h3-4H,2H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 104617669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).