2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole

C17H12FN3OS — CID 135590191

IUPAC2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole
SMILESCOc1ccc2[nH]c(-c3nnc(-c4ccccc4F)s3)cc2c1
InChIInChI=1S/C17H12FN3OS/c1-22-11-6-7-14-10(8-11)9-15(19-14)17-21-20-16(23-17)12-4-2-3-5-13(12)18/h2-9,19H,1H3
InChIKeyPEHBRJDNQWXFEH-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.50
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole

2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole (PubChem CID 135590191) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole
PubChem CID135590191
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole
SMILESCOc1ccc2[nH]c(-c3nnc(-c4ccccc4F)s3)cc2c1
InChIInChI=1S/C17H12FN3OS/c1-22-11-6-7-14-10(8-11)9-15(19-14)17-21-20-16(23-17)12-4-2-3-5-13(12)18/h2-9,19H,1H3
InChIKeyPEHBRJDNQWXFEH-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole (CID 135590191) is 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole is COc1ccc2[nH]c(-c3nnc(-c4ccccc4F)s3)cc2c1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole?
The InChIKey is PEHBRJDNQWXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c1-22-11-6-7-14-10(8-11)9-15(19-14)17-21-20-16(23-17)12-4-2-3-5-13(12)18/h2-9,19H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole?
2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole has a molecular weight of 325.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 135590191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).