2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C12H8ClN3OS2 — CID 35526113

IUPAC2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(CSc2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C12H8ClN3OS2/c13-10-4-3-8(6-14-10)7-19-12-16-15-11(17-12)9-2-1-5-18-9/h1-6H,7H2
InChIKeyGUWJLZVYRCPNSL-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.14
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 35526113) has the molecular formula C12H8ClN3OS2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID35526113
Molecular FormulaC12H8ClN3OS2
Molecular Weight309.80 g/mol
Exact Mass308.98
IUPAC Name2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(CSc2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C12H8ClN3OS2/c13-10-4-3-8(6-14-10)7-19-12-16-15-11(17-12)9-2-1-5-18-9/h1-6H,7H2
InChIKeyGUWJLZVYRCPNSL-UHFFFAOYSA-N
XLogP4.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 851256
4-(5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539731
4-[5-[[(2-Chloro-6-fluorophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]pyridine
CID 2382787
3-Chloro-5-(trifluoromethyl)-2-pyridinyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 1476278
3-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 655156
2-[(4-Chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 662339
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484970
3-chlorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
CID 1484975
[5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-chloropyridine-3-carboxylate
CID 2651614
4-{[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl thiophene-2-carboxylate
CID 661147
3-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 856031
4-chlorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
CID 1484969

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 35526113) is 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Clc1ccc(CSc2nnc(-c3cccs3)o2)cn1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is GUWJLZVYRCPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS2/c13-10-4-3-8(6-14-10)7-19-12-16-15-11(17-12)9-2-1-5-18-9/h1-6H,7H2.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 309.80 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 35526113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).