2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole

C13H9ClN4OS — CID 163297395

IUPAC2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
SMILESC#CCSc1nnc(-c2c(C)nc3ccc(Cl)cn23)o1
InChIInChI=1S/C13H9ClN4OS/c1-3-6-20-13-17-16-12(19-13)11-8(2)15-10-5-4-9(14)7-18(10)11/h1,4-5,7H,6H2,2H3
InChIKeyBHTIIOLLNOFALY-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.07
Rot. Bonds3

About 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole

2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole (PubChem CID 163297395) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
PubChem CID163297395
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
SMILESC#CCSc1nnc(-c2c(C)nc3ccc(Cl)cn23)o1
InChIInChI=1S/C13H9ClN4OS/c1-3-6-20-13-17-16-12(19-13)11-8(2)15-10-5-4-9(14)7-18(10)11/h1,4-5,7H,6H2,2H3
InChIKeyBHTIIOLLNOFALY-UHFFFAOYSA-N
XLogP3.07
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
CID 163297350
2-[(4-bromophenyl)methylsulfanyl]-5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
CID 163297391
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 99962961
methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 163297322
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297290
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962935
1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
CID 11840792
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297321
7-chloro-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216785
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 3420918
2-(4-chlorophenyl)-5-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
CID 99962742
2-(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 46949521

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole (CID 163297395) is 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole is C#CCSc1nnc(-c2c(C)nc3ccc(Cl)cn23)o1.
What is the InChIKey of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole?
The InChIKey is BHTIIOLLNOFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c1-3-6-20-13-17-16-12(19-13)11-8(2)15-10-5-4-9(14)7-18(10)11/h1,4-5,7H,6H2,2H3.
What are the key properties of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole?
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole has a molecular weight of 304.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 163297395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).