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

C7H8N2O2S — CID 82406675

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CC2)ns1
InChIInChI=1S/C7H8N2O2S/c10-6(11)3-5-8-7(9-12-5)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyAVOLOAKDIICJDF-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.04
Rot. Bonds3

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

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid (PubChem CID 82406675) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid
PubChem CID82406675
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CC2)ns1
InChIInChI=1S/C7H8N2O2S/c10-6(11)3-5-8-7(9-12-5)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyAVOLOAKDIICJDF-UHFFFAOYSA-N
XLogP1.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid (CID 82406675) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid is O=C(O)Cc1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid?
The InChIKey is AVOLOAKDIICJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-6(11)3-5-8-7(9-12-5)4-1-2-4/h4H,1-3H2,(H,10,11).
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetic acid has a molecular weight of 184.22 g/mol, XLogP of 1.04, 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)acetic acid is sourced from PubChem (CID 82406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).