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

C13H23N3S — CID 133365940

IUPAC2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCC1CC(C)CN(c2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C13H23N3S/c1-9-6-10(2)8-16(7-9)12-15-14-11(17-12)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyGYVITQILJKLOBI-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.32
Rot. Bonds1

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

2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 133365940) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID133365940
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCC1CC(C)CN(c2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C13H23N3S/c1-9-6-10(2)8-16(7-9)12-15-14-11(17-12)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyGYVITQILJKLOBI-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole (CID 133365940) is 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole is CC1CC(C)CN(c2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is GYVITQILJKLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-6-10(2)8-16(7-9)12-15-14-11(17-12)13(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole?
2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 253.41 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 133365940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).