3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole

C12H21N3S — CID 59598851

IUPAC3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-4-11-13-12(16-14-11)15-7-5-10(6-8-15)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKIAKHWJWTZOMNO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole

3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 59598851) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID59598851
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-4-11-13-12(16-14-11)15-7-5-10(6-8-15)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKIAKHWJWTZOMNO-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole (CID 59598851) is 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is KIAKHWJWTZOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11-13-12(16-14-11)15-7-5-10(6-8-15)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 239.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 59598851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).