5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

C16H18FN3OS — CID 133358973

IUPAC5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC=C(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18FN3OS/c1-21-11-8-15-18-16(22-19-15)20-9-6-13(7-10-20)12-2-4-14(17)5-3-12/h2-6H,7-11H2,1H3
InChIKeyNBMBNQQRYONOLI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.16
Rot. Bonds5

About 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 133358973) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID133358973
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC=C(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18FN3OS/c1-21-11-8-15-18-16(22-19-15)20-9-6-13(7-10-20)12-2-4-14(17)5-3-12/h2-6H,7-11H2,1H3
InChIKeyNBMBNQQRYONOLI-UHFFFAOYSA-N
XLogP3.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 133358973) is 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CC=C(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is NBMBNQQRYONOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-21-11-8-15-18-16(22-19-15)20-9-6-13(7-10-20)12-2-4-14(17)5-3-12/h2-6H,7-11H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 319.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133358973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).