N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide

C11H18N4OS — CID 58945397

IUPACN-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1csnn1
InChIInChI=1S/C11H18N4OS/c16-11(10-9-17-14-13-10)12-5-4-8-15-6-2-1-3-7-15/h9H,1-8H2,(H,12,16)
InChIKeySCIODLBYVVFJON-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.14
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide

N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide (PubChem CID 58945397) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
PubChem CID58945397
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1csnn1
InChIInChI=1S/C11H18N4OS/c16-11(10-9-17-14-13-10)12-5-4-8-15-6-2-1-3-7-15/h9H,1-8H2,(H,12,16)
InChIKeySCIODLBYVVFJON-UHFFFAOYSA-N
XLogP1.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-piperidin-1-ylpropyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide (CID 58945397) is N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide is O=C(NCCCN1CCCCC1)c1csnn1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide?
The InChIKey is SCIODLBYVVFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c16-11(10-9-17-14-13-10)12-5-4-8-15-6-2-1-3-7-15/h9H,1-8H2,(H,12,16).
What are the key properties of N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide?
N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 58945397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).