3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid

C11H10N2O2S2 — CID 19858418

IUPAC3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1nnsc1-c1ccccc1
InChIInChI=1S/C11H10N2O2S2/c14-9(15)6-7-16-11-10(17-13-12-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyBPAAVCJJQSEHRH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.77
Rot. Bonds5

About 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid

3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid (PubChem CID 19858418) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid
PubChem CID19858418
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1nnsc1-c1ccccc1
InChIInChI=1S/C11H10N2O2S2/c14-9(15)6-7-16-11-10(17-13-12-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyBPAAVCJJQSEHRH-UHFFFAOYSA-N
XLogP2.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid (CID 19858418) is 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid is O=C(O)CCSc1nnsc1-c1ccccc1.
What is the InChIKey of 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid?
The InChIKey is BPAAVCJJQSEHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c14-9(15)6-7-16-11-10(17-13-12-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid?
3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid has a molecular weight of 266.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylthiadiazol-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 19858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).