5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole

C9H14ClN3OS — CID 43409300

IUPAC5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
SMILESCOC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H14ClN3OS/c1-14-7-2-4-13(5-3-7)6-8-9(10)15-12-11-8/h7H,2-6H2,1H3
InChIKeyDKVLAXNSOTULPE-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.80
Rot. Bonds3

About 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole (PubChem CID 43409300) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
PubChem CID43409300
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
SMILESCOC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H14ClN3OS/c1-14-7-2-4-13(5-3-7)6-8-9(10)15-12-11-8/h7H,2-6H2,1H3
InChIKeyDKVLAXNSOTULPE-UHFFFAOYSA-N
XLogP1.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole (CID 43409300) is 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole is COC1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole?
The InChIKey is DKVLAXNSOTULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-14-7-2-4-13(5-3-7)6-8-9(10)15-12-11-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole has a molecular weight of 247.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).