3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole

C9H14ClN3S — CID 62122927

IUPAC3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCN(c2nsnc2Cl)C1C
InChIInChI=1S/C9H14ClN3S/c1-6-4-3-5-13(7(6)2)9-8(10)11-14-12-9/h6-7H,3-5H2,1-2H3
InChIKeyDBXKELQBEAIBLN-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.82
Rot. Bonds1

About 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole

3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 62122927) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID62122927
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCN(c2nsnc2Cl)C1C
InChIInChI=1S/C9H14ClN3S/c1-6-4-3-5-13(7(6)2)9-8(10)11-14-12-9/h6-7H,3-5H2,1-2H3
InChIKeyDBXKELQBEAIBLN-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole (CID 62122927) is 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCCN(c2nsnc2Cl)C1C.
What is the InChIKey of 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is DBXKELQBEAIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-6-4-3-5-13(7(6)2)9-8(10)11-14-12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 231.75 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 62122927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).