2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

C16H11N5OS2 — CID 30782857

IUPAC2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)nc1
InChIInChI=1S/C16H11N5OS2/c1-2-6-18-13(3-1)15-19-12(9-23-15)10-24-16-21-20-14(22-16)11-4-7-17-8-5-11/h1-9H,10H2
InChIKeyKUHFTEKAOJAMTL-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.94
Rot. Bonds5

About 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 30782857) has the molecular formula C16H11N5OS2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID30782857
Molecular FormulaC16H11N5OS2
Molecular Weight353.43 g/mol
Exact Mass353.04
IUPAC Name2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)nc1
InChIInChI=1S/C16H11N5OS2/c1-2-6-18-13(3-1)15-19-12(9-23-15)10-24-16-21-20-14(22-16)11-4-7-17-8-5-11/h1-9H,10H2
InChIKeyKUHFTEKAOJAMTL-UHFFFAOYSA-N
XLogP3.94
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9263800
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 75385512
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78762664
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 30782857) is 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)nc1.
What is the InChIKey of 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is KUHFTEKAOJAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS2/c1-2-6-18-13(3-1)15-19-12(9-23-15)10-24-16-21-20-14(22-16)11-4-7-17-8-5-11/h1-9H,10H2.
What are the key properties of 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 353.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 30782857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).