2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole

C20H28N6S — CID 45377494

IUPAC2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole
SMILESc1cc(C2CCN(c3nnc(N4CCN(C5CCCC5)CC4)s3)C2)ccn1
InChIInChI=1S/C20H28N6S/c1-2-4-18(3-1)24-11-13-25(14-12-24)19-22-23-20(27-19)26-10-7-17(15-26)16-5-8-21-9-6-16/h5-6,8-9,17-18H,1-4,7,10-15H2
InChIKeyKRKZKFUDAPCKJE-UHFFFAOYSA-N
MW384.55 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole

2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole (PubChem CID 45377494) has the molecular formula C20H28N6S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole
PubChem CID45377494
Molecular FormulaC20H28N6S
Molecular Weight384.55 g/mol
Exact Mass384.21
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole
SMILESc1cc(C2CCN(c3nnc(N4CCN(C5CCCC5)CC4)s3)C2)ccn1
InChIInChI=1S/C20H28N6S/c1-2-4-18(3-1)24-11-13-25(14-12-24)19-22-23-20(27-19)26-10-7-17(15-26)16-5-8-21-9-6-16/h5-6,8-9,17-18H,1-4,7,10-15H2
InChIKeyKRKZKFUDAPCKJE-UHFFFAOYSA-N
XLogP2.99
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole (CID 45377494) is 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole is c1cc(C2CCN(c3nnc(N4CCN(C5CCCC5)CC4)s3)C2)ccn1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is KRKZKFUDAPCKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6S/c1-2-4-18(3-1)24-11-13-25(14-12-24)19-22-23-20(27-19)26-10-7-17(15-26)16-5-8-21-9-6-16/h5-6,8-9,17-18H,1-4,7,10-15H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole?
2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 384.55 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 45377494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).