2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C15H11N5OS — CID 78762664

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccn2cc(CSc3nnc(-c4ccncc4)o3)nc2c1
InChIInChI=1S/C15H11N5OS/c1-2-8-20-9-12(17-13(20)3-1)10-22-15-19-18-14(21-15)11-4-6-16-7-5-11/h1-9H,10H2
InChIKeyXBSHQEGLPHVHKW-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.07
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 78762664) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID78762664
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccn2cc(CSc3nnc(-c4ccncc4)o3)nc2c1
InChIInChI=1S/C15H11N5OS/c1-2-8-20-9-12(17-13(20)3-1)10-22-15-19-18-14(21-15)11-4-6-16-7-5-11/h1-9H,10H2
InChIKeyXBSHQEGLPHVHKW-UHFFFAOYSA-N
XLogP3.07
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 51141982
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30124548
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
2-(3,5-dimethoxyphenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 4804896
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78885285
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 78762664) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccn2cc(CSc3nnc(-c4ccncc4)o3)nc2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is XBSHQEGLPHVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-8-20-9-12(17-13(20)3-1)10-22-15-19-18-14(21-15)11-4-6-16-7-5-11/h1-9H,10H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 78762664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).