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

C10H16ClN3S — CID 62205456

IUPAC3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCCC1CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-2-3-8-4-6-14(7-5-8)10-9(11)12-15-13-10/h8H,2-7H2,1H3
InChIKeySTNQSPNVIUERNH-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.21
Rot. Bonds3

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

3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 62205456) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID62205456
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCCC1CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-2-3-8-4-6-14(7-5-8)10-9(11)12-15-13-10/h8H,2-7H2,1H3
InChIKeySTNQSPNVIUERNH-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole (CID 62205456) is 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole is CCCC1CCN(c2nsnc2Cl)CC1.
What is the InChIKey of 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is STNQSPNVIUERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-2-3-8-4-6-14(7-5-8)10-9(11)12-15-13-10/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 245.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 62205456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).