4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid

C6H8N2O3S — CID 82405150

IUPAC4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid
SMILESO=C(O)CCC(O)c1ncns1
InChIInChI=1S/C6H8N2O3S/c9-4(1-2-5(10)11)6-7-3-8-12-6/h3-4,9H,1-2H2,(H,10,11)
InChIKeyQNIWIKCCDLMZLH-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.44
Rot. Bonds4

About 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid

4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid (PubChem CID 82405150) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid
PubChem CID82405150
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid
SMILESO=C(O)CCC(O)c1ncns1
InChIInChI=1S/C6H8N2O3S/c9-4(1-2-5(10)11)6-7-3-8-12-6/h3-4,9H,1-2H2,(H,10,11)
InChIKeyQNIWIKCCDLMZLH-UHFFFAOYSA-N
XLogP0.44
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Thiadiazol-5-yl)butanoic acid
CID 82411888

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid?
The IUPAC name of 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid (CID 82405150) is 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid is O=C(O)CCC(O)c1ncns1.
What is the InChIKey of 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid?
The InChIKey is QNIWIKCCDLMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c9-4(1-2-5(10)11)6-7-3-8-12-6/h3-4,9H,1-2H2,(H,10,11).
What are the key properties of 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid?
4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid has a molecular weight of 188.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(1,2,4-thiadiazol-5-yl)butanoic acid is sourced from PubChem (CID 82405150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).