2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

C10H9FN2S2 — CID 573249

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2S2/c1-7-12-13-10(15-7)14-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMJJRSYAKOCJHOE-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.28
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 573249) has the molecular formula C10H9FN2S2 and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID573249
Molecular FormulaC10H9FN2S2
Molecular Weight240.33 g/mol
Exact Mass240.02
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2S2/c1-7-12-13-10(15-7)14-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMJJRSYAKOCJHOE-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CID 573249) is 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(SCc2ccc(F)cc2)s1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MJJRSYAKOCJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S2/c1-7-12-13-10(15-7)14-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 240.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 573249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).