N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide

C8H5ClN4OS — CID 115683223

IUPACN-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cnns1
InChIInChI=1S/C8H5ClN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14)
InChIKeyPJJCFCPARHEQCM-UHFFFAOYSA-N
MW240.68 g/mol
LogP1.84
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide

N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide (PubChem CID 115683223) has the molecular formula C8H5ClN4OS and a molecular weight of 240.68 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
PubChem CID115683223
Molecular FormulaC8H5ClN4OS
Molecular Weight240.68 g/mol
Exact Mass239.99
IUPAC NameN-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cnns1
InChIInChI=1S/C8H5ClN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14)
InChIKeyPJJCFCPARHEQCM-UHFFFAOYSA-N
XLogP1.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.68
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide (CID 115683223) is N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide is O=C(Nc1cccc(Cl)n1)c1cnns1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide?
The InChIKey is PJJCFCPARHEQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4OS/c9-6-2-1-3-7(11-6)12-8(14)5-4-10-13-15-5/h1-4H,(H,11,12,14).
What are the key properties of N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide?
N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide has a molecular weight of 240.68 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 115683223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).