3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

C8H9N5O4S2 — CID 43513639

IUPAC3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2nncs2)cn1
InChIInChI=1S/C8H9N5O4S2/c14-7(15)1-2-13-4-6(3-10-13)19(16,17)12-8-11-9-5-18-8/h3-5H,1-2H2,(H,11,12)(H,14,15)
InChIKeyKMNAJVKQIBHIGD-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.01
Rot. Bonds6

About 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513639) has the molecular formula C8H9N5O4S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513639
Molecular FormulaC8H9N5O4S2
Molecular Weight303.33 g/mol
Exact Mass303.01
IUPAC Name3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2nncs2)cn1
InChIInChI=1S/C8H9N5O4S2/c14-7(15)1-2-13-4-6(3-10-13)19(16,17)12-8-11-9-5-18-8/h3-5H,1-2H2,(H,11,12)(H,14,15)
InChIKeyKMNAJVKQIBHIGD-UHFFFAOYSA-N
XLogP0.01
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513480
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(pyrazin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43616118
3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 83229001
3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513657
3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513637
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513639) is 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)Nc2nncs2)cn1.
What is the InChIKey of 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is KMNAJVKQIBHIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4S2/c14-7(15)1-2-13-4-6(3-10-13)19(16,17)12-8-11-9-5-18-8/h3-5H,1-2H2,(H,11,12)(H,14,15).
What are the key properties of 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 303.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).