3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

C15H17ClFN3OS — CID 43949636

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17ClFN3OS/c1-10-5-7-20(8-6-10)14-15(19-22-18-14)21-9-11-12(16)3-2-4-13(11)17/h2-4,10H,5-9H2,1H3
InChIKeyZBTKWGSYOPGLJD-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.15
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949636) has the molecular formula C15H17ClFN3OS and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949636
Molecular FormulaC15H17ClFN3OS
Molecular Weight341.84 g/mol
Exact Mass341.08
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17ClFN3OS/c1-10-5-7-20(8-6-10)14-15(19-22-18-14)21-9-11-12(16)3-2-4-13(11)17/h2-4,10H,5-9H2,1H3
InChIKeyZBTKWGSYOPGLJD-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949636) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is ZBTKWGSYOPGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3OS/c1-10-5-7-20(8-6-10)14-15(19-22-18-14)21-9-11-12(16)3-2-4-13(11)17/h2-4,10H,5-9H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 341.84 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).