2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide

C11H19N5S2 — CID 65271948

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
SMILESCCCC(C(N)=S)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H19N5S2/c1-2-3-9(10(12)17)15-4-6-16(7-5-15)11-13-8-14-18-11/h8-9H,2-7H2,1H3,(H2,12,17)
InChIKeyYZRGLFDIMROGBA-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide

2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide (PubChem CID 65271948) has the molecular formula C11H19N5S2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
PubChem CID65271948
Molecular FormulaC11H19N5S2
Molecular Weight285.44 g/mol
Exact Mass285.11
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
SMILESCCCC(C(N)=S)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H19N5S2/c1-2-3-9(10(12)17)15-4-6-16(7-5-15)11-13-8-14-18-11/h8-9H,2-7H2,1H3,(H2,12,17)
InChIKeyYZRGLFDIMROGBA-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide (CID 65271948) is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide is CCCC(C(N)=S)N1CCN(c2ncns2)CC1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
The InChIKey is YZRGLFDIMROGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S2/c1-2-3-9(10(12)17)15-4-6-16(7-5-15)11-13-8-14-18-11/h8-9H,2-7H2,1H3,(H2,12,17).
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide has a molecular weight of 285.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide is sourced from PubChem (CID 65271948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).