2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole

C11H18N4S — CID 121184724

IUPAC2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1nnc(N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C11H18N4S/c1-2-4-10(3-1)14-5-7-15(8-6-14)11-13-12-9-16-11/h9-10H,1-8H2
InChIKeyZEGLHEZNTKYWAE-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.60
Rot. Bonds2

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

2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 121184724) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID121184724
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1nnc(N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C11H18N4S/c1-2-4-10(3-1)14-5-7-15(8-6-14)11-13-12-9-16-11/h9-10H,1-8H2
InChIKeyZEGLHEZNTKYWAE-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Piperidin-1-yl-1,3,4-thiadiazole
CID 21839246
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazole
CID 22245701
2-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430606
2-[4-(1,3,4-Thiadiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 64157326
2-[4-(1,3,4-Thiadiazol-2-yl)piperazin-1-yl]pentan-1-amine
CID 64157327
N-(1-ethylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64157351
1-(1,3,4-Thiadiazol-2-yl)piperidin-3-amine
CID 64157369
[6-Methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-2-yl]methanamine
CID 64157372
[1-(1,3,4-Thiadiazol-2-yl)piperidin-2-yl]methanamine
CID 64157590
N-methyl-1-(1,3,4-thiadiazol-2-yl)piperidin-3-amine
CID 64158023
2-[4-(1,3,4-Thiadiazol-2-yl)piperazin-1-yl]pentanenitrile
CID 64158412
N-[[1-(1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]ethanamine
CID 64158466

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole (CID 121184724) is 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole is c1nnc(N2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is ZEGLHEZNTKYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-4-10(3-1)14-5-7-15(8-6-14)11-13-12-9-16-11/h9-10H,1-8H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole?
2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 121184724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).