2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid

C8H10N2O2S — CID 104571126

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C8H10N2O2S/c1-4(8(11)12)7-9-6(10-13-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyBOYJHYWOBNUDSI-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid (PubChem CID 104571126) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid
PubChem CID104571126
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C8H10N2O2S/c1-4(8(11)12)7-9-6(10-13-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyBOYJHYWOBNUDSI-UHFFFAOYSA-N
XLogP1.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid (CID 104571126) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid is CC(C(=O)O)c1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid?
The InChIKey is BOYJHYWOBNUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4(8(11)12)7-9-6(10-13-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid has a molecular weight of 198.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid is sourced from PubChem (CID 104571126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).