3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole

C13H17N3S — CID 121184324

IUPAC3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
SMILESC1CC1=C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H17N3S/c1-2-9(1)10-5-7-16(8-6-10)13-14-12(15-17-13)11-3-4-11/h11H,1-8H2
InChIKeyBSVWXJDHJWVTFF-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.11
Rot. Bonds2

About 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 121184324) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID121184324
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
SMILESC1CC1=C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H17N3S/c1-2-9(1)10-5-7-16(8-6-10)13-14-12(15-17-13)11-3-4-11/h11H,1-8H2
InChIKeyBSVWXJDHJWVTFF-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole (CID 121184324) is 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole is C1CC1=C1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is BSVWXJDHJWVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-9(1)10-5-7-16(8-6-10)13-14-12(15-17-13)11-3-4-11/h11H,1-8H2.
What are the key properties of 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 247.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 121184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).