2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole

C9H8ClN3OS — CID 83267619

IUPAC2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2cc(Cl)ncc2C)o1
InChIInChI=1S/C9H8ClN3OS/c1-5-4-11-8(10)3-7(5)15-9-13-12-6(2)14-9/h3-4H,1-2H3
InChIKeyRVSDKIXRVDOXGA-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.89
Rot. Bonds2

About 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole

2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 83267619) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
PubChem CID83267619
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2cc(Cl)ncc2C)o1
InChIInChI=1S/C9H8ClN3OS/c1-5-4-11-8(10)3-7(5)15-9-13-12-6(2)14-9/h3-4H,1-2H3
InChIKeyRVSDKIXRVDOXGA-UHFFFAOYSA-N
XLogP2.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
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 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole (CID 83267619) is 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Sc2cc(Cl)ncc2C)o1.
What is the InChIKey of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is RVSDKIXRVDOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-5-4-11-8(10)3-7(5)15-9-13-12-6(2)14-9/h3-4H,1-2H3.
What are the key properties of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole?
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 241.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 83267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).