5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole

C10H18N4S — CID 65271904

IUPAC5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCNC(C)C2)n1
InChIInChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3
InChIKeyDYBWWVAPUAKAMO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.29
Rot. Bonds3

About 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole

5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole (PubChem CID 65271904) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
PubChem CID65271904
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCNC(C)C2)n1
InChIInChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3
InChIKeyDYBWWVAPUAKAMO-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole (CID 65271904) is 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(N2CCNC(C)C2)n1.
What is the InChIKey of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The InChIKey is DYBWWVAPUAKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65271904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).