5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole

C9H7FN2OS2 — CID 11861883

IUPAC5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole
SMILESCc1nnsc1[S@@](=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2OS2/c1-6-9(14-12-11-6)15(13)8-4-2-7(10)3-5-8/h2-5H,1H3/t15-/m0/s1
InChIKeyKJZUNWIICPIHED-HNNXBMFYSA-N
MW242.30 g/mol
LogP2.15
Rot. Bonds2

About 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole

5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole (PubChem CID 11861883) has the molecular formula C9H7FN2OS2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole
PubChem CID11861883
Molecular FormulaC9H7FN2OS2
Molecular Weight242.30 g/mol
Exact Mass242.00
IUPAC Name5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole
SMILESCc1nnsc1[S@@](=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2OS2/c1-6-9(14-12-11-6)15(13)8-4-2-7(10)3-5-8/h2-5H,1H3/t15-/m0/s1
InChIKeyKJZUNWIICPIHED-HNNXBMFYSA-N
XLogP2.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole?
The IUPAC name of 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole (CID 11861883) is 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole?
The canonical SMILES for 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole is Cc1nnsc1[S@@](=O)c1ccc(F)cc1.
What is the InChIKey of 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole?
The InChIKey is KJZUNWIICPIHED-HNNXBMFYSA-N. The full InChI is InChI=1S/C9H7FN2OS2/c1-6-9(14-12-11-6)15(13)8-4-2-7(10)3-5-8/h2-5H,1H3/t15-/m0/s1.
What are the key properties of 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole?
5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole has a molecular weight of 242.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-(4-fluorophenyl)sulfinyl]-4-methylthiadiazole is sourced from PubChem (CID 11861883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).