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

C17H20FN3OS — CID 18920331

IUPAC3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCCC(Oc1nsnc1C1=CCCN(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-3-15(12-6-8-14(18)9-7-12)22-17-16(19-23-20-17)13-5-4-10-21(2)11-13/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyUQOFJXDMEKRDNN-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.93
Rot. Bonds5

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

3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 18920331) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID18920331
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCCC(Oc1nsnc1C1=CCCN(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-3-15(12-6-8-14(18)9-7-12)22-17-16(19-23-20-17)13-5-4-10-21(2)11-13/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyUQOFJXDMEKRDNN-UHFFFAOYSA-N
XLogP3.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 18920331) is 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is CCC(Oc1nsnc1C1=CCCN(C)C1)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is UQOFJXDMEKRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-3-15(12-6-8-14(18)9-7-12)22-17-16(19-23-20-17)13-5-4-10-21(2)11-13/h5-9,15H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 333.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)propoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 18920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).