3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

C10H14FN3S2 — CID 10061124

IUPAC3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2SCCF)C1
InChIInChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
InChIKeyCPKWHOIMDNYZJG-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 10061124) has the molecular formula C10H14FN3S2 and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID10061124
Molecular FormulaC10H14FN3S2
Molecular Weight259.38 g/mol
Exact Mass259.06
IUPAC Name3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2SCCF)C1
InChIInChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
InChIKeyCPKWHOIMDNYZJG-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 10061124) is 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is CN1CCC=C(c2nsnc2SCCF)C1.
What is the InChIKey of 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is CPKWHOIMDNYZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3.
What are the key properties of 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 259.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 10061124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).