2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide

C11H19N5S2 — CID 65272500

IUPAC2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
SMILESCCCc1nsc(N2CCN(CC(N)=S)CC2)n1
InChIInChI=1S/C11H19N5S2/c1-2-3-10-13-11(18-14-10)16-6-4-15(5-7-16)8-9(12)17/h2-8H2,1H3,(H2,12,17)
InChIKeyWWWAJSMIEKDQLH-UHFFFAOYSA-N
MW285.44 g/mol
LogP0.90
Rot. Bonds5

About 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide

2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide (PubChem CID 65272500) has the molecular formula C11H19N5S2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
PubChem CID65272500
Molecular FormulaC11H19N5S2
Molecular Weight285.44 g/mol
Exact Mass285.11
IUPAC Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
SMILESCCCc1nsc(N2CCN(CC(N)=S)CC2)n1
InChIInChI=1S/C11H19N5S2/c1-2-3-10-13-11(18-14-10)16-6-4-15(5-7-16)8-9(12)17/h2-8H2,1H3,(H2,12,17)
InChIKeyWWWAJSMIEKDQLH-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide (CID 65272500) is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide is CCCc1nsc(N2CCN(CC(N)=S)CC2)n1.
What is the InChIKey of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide?
The InChIKey is WWWAJSMIEKDQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S2/c1-2-3-10-13-11(18-14-10)16-6-4-15(5-7-16)8-9(12)17/h2-8H2,1H3,(H2,12,17).
What are the key properties of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide?
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide has a molecular weight of 285.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide is sourced from PubChem (CID 65272500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).