N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide

C10H17N5OS — CID 43522676

IUPACN-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cnns1
InChIInChI=1S/C10H17N5OS/c16-10(9-8-13-14-17-9)12-2-1-5-15-6-3-11-4-7-15/h8,11H,1-7H2,(H,12,16)
InChIKeyBMQIIZKEHHFHSR-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.44
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide

N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide (PubChem CID 43522676) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
PubChem CID43522676
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cnns1
InChIInChI=1S/C10H17N5OS/c16-10(9-8-13-14-17-9)12-2-1-5-15-6-3-11-4-7-15/h8,11H,1-7H2,(H,12,16)
InChIKeyBMQIIZKEHHFHSR-UHFFFAOYSA-N
XLogP-0.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide (CID 43522676) is N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide is O=C(NCCCN1CCNCC1)c1cnns1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide?
The InChIKey is BMQIIZKEHHFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c16-10(9-8-13-14-17-9)12-2-1-5-15-6-3-11-4-7-15/h8,11H,1-7H2,(H,12,16).
What are the key properties of N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide?
N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide has a molecular weight of 255.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 43522676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).