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

C16H19ClFN3OS — CID 43949572

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCC(C)N1c1nsnc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3OS/c1-10-5-3-6-11(2)21(10)15-16(20-23-19-15)22-9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyHRYMVBDMJBHSKS-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.68
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949572) has the molecular formula C16H19ClFN3OS and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949572
Molecular FormulaC16H19ClFN3OS
Molecular Weight355.87 g/mol
Exact Mass355.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCC(C)N1c1nsnc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3OS/c1-10-5-3-6-11(2)21(10)15-16(20-23-19-15)22-9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyHRYMVBDMJBHSKS-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.68
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-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949572) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCCC(C)N1c1nsnc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is HRYMVBDMJBHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3OS/c1-10-5-3-6-11(2)21(10)15-16(20-23-19-15)22-9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 355.87 g/mol, XLogP of 4.68, 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-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).