5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C10H12N4O4S2 — CID 104617510

IUPAC5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2scnc2C(=O)O)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-5(2)6-3-7(13-12-6)14-20(17,18)10-8(9(15)16)11-4-19-10/h3-5H,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyPFESBDHFPUTWMA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.49
Rot. Bonds5

About 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 104617510) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID104617510
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2scnc2C(=O)O)n[nH]1
InChIInChI=1S/C10H12N4O4S2/c1-5(2)6-3-7(13-12-6)14-20(17,18)10-8(9(15)16)11-4-19-10/h3-5H,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyPFESBDHFPUTWMA-UHFFFAOYSA-N
XLogP1.49
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 104617510) is 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)c1cc(NS(=O)(=O)c2scnc2C(=O)O)n[nH]1.
What is the InChIKey of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PFESBDHFPUTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-5(2)6-3-7(13-12-6)14-20(17,18)10-8(9(15)16)11-4-19-10/h3-5H,1-2H3,(H,15,16)(H2,12,13,14).
What are the key properties of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 104617510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).