3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole

C13H17N5S — CID 133429079

IUPAC3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESc1n[nH]cc1C1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H17N5S/c1-2-6-18(11(3-1)10-7-14-15-8-10)13-16-12(17-19-13)9-4-5-9/h7-9,11H,1-6H2,(H,14,15)
InChIKeyYIBVJHCQSXNKHR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.87
Rot. Bonds3

About 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133429079) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133429079
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESc1n[nH]cc1C1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H17N5S/c1-2-6-18(11(3-1)10-7-14-15-8-10)13-16-12(17-19-13)9-4-5-9/h7-9,11H,1-6H2,(H,14,15)
InChIKeyYIBVJHCQSXNKHR-UHFFFAOYSA-N
XLogP2.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 133429079) is 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole is c1n[nH]cc1C1CCCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is YIBVJHCQSXNKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-6-18(11(3-1)10-7-14-15-8-10)13-16-12(17-19-13)9-4-5-9/h7-9,11H,1-6H2,(H,14,15).
What are the key properties of 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 275.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133429079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).