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

C13H19N5S — CID 166249631

IUPAC5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1cc(C2CCCN(c3ncns3)C2)[nH]n1
InChIInChI=1S/C13H19N5S/c1-9(2)11-6-12(17-16-11)10-4-3-5-18(7-10)13-14-8-15-19-13/h6,8-10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyCUOZQIKGPMKUOE-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.77
Rot. Bonds3

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

5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 166249631) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID166249631
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1cc(C2CCCN(c3ncns3)C2)[nH]n1
InChIInChI=1S/C13H19N5S/c1-9(2)11-6-12(17-16-11)10-4-3-5-18(7-10)13-14-8-15-19-13/h6,8-10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyCUOZQIKGPMKUOE-UHFFFAOYSA-N
XLogP2.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 166249631) is 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is CC(C)c1cc(C2CCCN(c3ncns3)C2)[nH]n1.
What is the InChIKey of 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is CUOZQIKGPMKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9(2)11-6-12(17-16-11)10-4-3-5-18(7-10)13-14-8-15-19-13/h6,8-10H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 277.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 166249631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).