3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

C11H16N6S — CID 164641378

IUPAC3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN[C@H](c3cn[nH]c3)C2)n1
InChIInChI=1S/C11H16N6S/c1-2-10-15-11(18-16-10)17-4-3-12-9(7-17)8-5-13-14-6-8/h5-6,9,12H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyBDHIWKYHMABIFF-VIFPVBQESA-N
MW264.36 g/mol
LogP0.97
Rot. Bonds3

About 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 164641378) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID164641378
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN[C@H](c3cn[nH]c3)C2)n1
InChIInChI=1S/C11H16N6S/c1-2-10-15-11(18-16-10)17-4-3-12-9(7-17)8-5-13-14-6-8/h5-6,9,12H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyBDHIWKYHMABIFF-VIFPVBQESA-N
XLogP0.97
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 164641378) is 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN[C@H](c3cn[nH]c3)C2)n1.
What is the InChIKey of 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is BDHIWKYHMABIFF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N6S/c1-2-10-15-11(18-16-10)17-4-3-12-9(7-17)8-5-13-14-6-8/h5-6,9,12H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 264.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 164641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).