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

C14H14FN3S — CID 91648656

IUPAC4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
SMILESFc1ccccc1C1=CCN(Cc2csnn2)CC1
InChIInChI=1S/C14H14FN3S/c15-14-4-2-1-3-13(14)11-5-7-18(8-6-11)9-12-10-19-17-16-12/h1-5,10H,6-9H2
InChIKeyIQFQHNIRIRQWQH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.97
Rot. Bonds3

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

4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole (PubChem CID 91648656) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
PubChem CID91648656
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
SMILESFc1ccccc1C1=CCN(Cc2csnn2)CC1
InChIInChI=1S/C14H14FN3S/c15-14-4-2-1-3-13(14)11-5-7-18(8-6-11)9-12-10-19-17-16-12/h1-5,10H,6-9H2
InChIKeyIQFQHNIRIRQWQH-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The IUPAC name of 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole (CID 91648656) is 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole is Fc1ccccc1C1=CCN(Cc2csnn2)CC1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The InChIKey is IQFQHNIRIRQWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-14-4-2-1-3-13(14)11-5-7-18(8-6-11)9-12-10-19-17-16-12/h1-5,10H,6-9H2.
What are the key properties of 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole has a molecular weight of 275.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 91648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).