6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile

C12H5ClN4OS2 — CID 133392662

IUPAC6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnc(-c3ccc(Cl)s3)o2)n1
InChIInChI=1S/C12H5ClN4OS2/c13-9-5-4-8(19-9)11-16-17-12(18-11)20-10-3-1-2-7(6-14)15-10/h1-5H
InChIKeyURLPIODHEZELOF-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.87
Rot. Bonds3

About 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile

6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (PubChem CID 133392662) has the molecular formula C12H5ClN4OS2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
PubChem CID133392662
Molecular FormulaC12H5ClN4OS2
Molecular Weight320.79 g/mol
Exact Mass319.96
IUPAC Name6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnc(-c3ccc(Cl)s3)o2)n1
InChIInChI=1S/C12H5ClN4OS2/c13-9-5-4-8(19-9)11-16-17-12(18-11)20-10-3-1-2-7(6-14)15-10/h1-5H
InChIKeyURLPIODHEZELOF-UHFFFAOYSA-N
XLogP3.87
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391782
2-(5-chlorothiophen-2-yl)-5-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 133340277
6-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392550
6-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416309
6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391795
6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416299
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619407
N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133392455
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62277864
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 18194834
2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2155777
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (CID 133392662) is 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is N#Cc1cccc(Sc2nnc(-c3ccc(Cl)s3)o2)n1.
What is the InChIKey of 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The InChIKey is URLPIODHEZELOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClN4OS2/c13-9-5-4-8(19-9)11-16-17-12(18-11)20-10-3-1-2-7(6-14)15-10/h1-5H.
What are the key properties of 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile has a molecular weight of 320.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133392662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).