5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole

C10H9FN2O3S2 — CID 15982123

IUPAC5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(S(=O)(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C10H9FN2O3S2/c1-16-9-12-10(17-13-9)18(14,15)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChIKeyKSKFTPZQXVUJMJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.66
Rot. Bonds4

About 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole

5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole (PubChem CID 15982123) has the molecular formula C10H9FN2O3S2 and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole
PubChem CID15982123
Molecular FormulaC10H9FN2O3S2
Molecular Weight288.33 g/mol
Exact Mass288.00
IUPAC Name5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(S(=O)(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C10H9FN2O3S2/c1-16-9-12-10(17-13-9)18(14,15)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChIKeyKSKFTPZQXVUJMJ-UHFFFAOYSA-N
XLogP1.66
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole (CID 15982123) is 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole is COc1nsc(S(=O)(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole?
The InChIKey is KSKFTPZQXVUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S2/c1-16-9-12-10(17-13-9)18(14,15)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole?
5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole has a molecular weight of 288.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 15982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).