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

C7H8N2O2S2 — CID 65271895

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(C2CC2)ns1
InChIInChI=1S/C7H8N2O2S2/c10-5(11)3-12-7-8-6(9-13-7)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyDLFPOLJKMXNCDB-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.59
Rot. Bonds4

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (PubChem CID 65271895) has the molecular formula C7H8N2O2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
PubChem CID65271895
Molecular FormulaC7H8N2O2S2
Molecular Weight216.29 g/mol
Exact Mass216.00
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(C2CC2)ns1
InChIInChI=1S/C7H8N2O2S2/c10-5(11)3-12-7-8-6(9-13-7)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyDLFPOLJKMXNCDB-UHFFFAOYSA-N
XLogP1.59
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (CID 65271895) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The InChIKey is DLFPOLJKMXNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S2/c10-5(11)3-12-7-8-6(9-13-7)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)sulfanyl]acetic acid?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid has a molecular weight of 216.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is sourced from PubChem (CID 65271895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).