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

C9H14ClN3S — CID 43408585

IUPAC5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H14ClN3S/c1-7-2-4-13(5-3-7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3
InChIKeyDUUWPCGLTNZTMV-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.42
Rot. Bonds2

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

5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 43408585) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
PubChem CID43408585
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H14ClN3S/c1-7-2-4-13(5-3-7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3
InChIKeyDUUWPCGLTNZTMV-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole (CID 43408585) is 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole is CC1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is DUUWPCGLTNZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7-2-4-13(5-3-7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 231.75 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43408585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).