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

C14H25N5S2 — CID 65271947

IUPAC2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
SMILESCCCc1nsc(N2CCN(C(CCC)C(N)=S)CC2)n1
InChIInChI=1S/C14H25N5S2/c1-3-5-11(13(15)20)18-7-9-19(10-8-18)14-16-12(6-4-2)17-21-14/h11H,3-10H2,1-2H3,(H2,15,20)
InChIKeyGSVWKIIIIURYFQ-UHFFFAOYSA-N
MW327.52 g/mol
LogP2.07
Rot. Bonds7

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

2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide (PubChem CID 65271947) has the molecular formula C14H25N5S2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide.

Molecular Properties

Compound Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
PubChem CID65271947
Molecular FormulaC14H25N5S2
Molecular Weight327.52 g/mol
Exact Mass327.16
IUPAC Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
SMILESCCCc1nsc(N2CCN(C(CCC)C(N)=S)CC2)n1
InChIInChI=1S/C14H25N5S2/c1-3-5-11(13(15)20)18-7-9-19(10-8-18)14-16-12(6-4-2)17-21-14/h11H,3-10H2,1-2H3,(H2,15,20)
InChIKeyGSVWKIIIIURYFQ-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 52.07
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]pentanethioamide?
The IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide (CID 65271947) is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide.
What is the SMILES notation for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
The canonical SMILES for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide is CCCc1nsc(N2CCN(C(CCC)C(N)=S)CC2)n1.
What is the InChIKey of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
The InChIKey is GSVWKIIIIURYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S2/c1-3-5-11(13(15)20)18-7-9-19(10-8-18)14-16-12(6-4-2)17-21-14/h11H,3-10H2,1-2H3,(H2,15,20).
What are the key properties of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide?
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide has a molecular weight of 327.52 g/mol, XLogP of 2.07, 7 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]pentanethioamide is sourced from PubChem (CID 65271947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).