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

C11H18ClN3S — CID 62084545

IUPAC3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole
SMILESCC(C)(C)C1CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-11(2,3)8-4-6-15(7-5-8)10-9(12)13-16-14-10/h8H,4-7H2,1-3H3
InChIKeyUUUGAAGDTRSANA-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.45
Rot. Bonds1

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

3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole (PubChem CID 62084545) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole
PubChem CID62084545
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole
SMILESCC(C)(C)C1CCN(c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-11(2,3)8-4-6-15(7-5-8)10-9(12)13-16-14-10/h8H,4-7H2,1-3H3
InChIKeyUUUGAAGDTRSANA-UHFFFAOYSA-N
XLogP3.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole (CID 62084545) is 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole is CC(C)(C)C1CCN(c2nsnc2Cl)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole?
The InChIKey is UUUGAAGDTRSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-11(2,3)8-4-6-15(7-5-8)10-9(12)13-16-14-10/h8H,4-7H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole?
3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole has a molecular weight of 259.81 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 62084545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).