2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole

C9H16N4S — CID 39202534

IUPAC2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCNCC2)s1
InChIInChI=1S/C9H16N4S/c1-2-3-8-11-12-9(14-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3
InChIKeyDUJSMYXJLIMSKH-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.90
Rot. Bonds3

About 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole

2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole (PubChem CID 39202534) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole
PubChem CID39202534
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCNCC2)s1
InChIInChI=1S/C9H16N4S/c1-2-3-8-11-12-9(14-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3
InChIKeyDUJSMYXJLIMSKH-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole (CID 39202534) is 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole is CCCc1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole?
The InChIKey is DUJSMYXJLIMSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-3-8-11-12-9(14-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3.
What are the key properties of 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole?
2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 39202534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).