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

C10H9FN2S — CID 58853382

IUPAC2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2S/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMRRCTKJGTXGHHU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.58
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 58853382) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID58853382
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN2S/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyMRRCTKJGTXGHHU-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole (CID 58853382) is 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MRRCTKJGTXGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-7-12-13-10(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 208.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 58853382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).