2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

C17H15FN4S — CID 119039301

IUPAC2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESFc1cccc(C2CCCN2c2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C17H15FN4S/c18-13-6-3-5-12(11-13)15-8-4-10-22(15)17-21-20-16(23-17)14-7-1-2-9-19-14/h1-3,5-7,9,11,15H,4,8,10H2
InChIKeyUUDMIWGNGBAJMN-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.08
Rot. Bonds3

About 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 119039301) has the molecular formula C17H15FN4S and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID119039301
Molecular FormulaC17H15FN4S
Molecular Weight326.40 g/mol
Exact Mass326.10
IUPAC Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESFc1cccc(C2CCCN2c2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C17H15FN4S/c18-13-6-3-5-12(11-13)15-8-4-10-22(15)17-21-20-16(23-17)14-7-1-2-9-19-14/h1-3,5-7,9,11,15H,4,8,10H2
InChIKeyUUDMIWGNGBAJMN-UHFFFAOYSA-N
XLogP4.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (CID 119039301) is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is Fc1cccc(C2CCCN2c2nnc(-c3ccccn3)s2)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is UUDMIWGNGBAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4S/c18-13-6-3-5-12(11-13)15-8-4-10-22(15)17-21-20-16(23-17)14-7-1-2-9-19-14/h1-3,5-7,9,11,15H,4,8,10H2.
What are the key properties of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 326.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 119039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).