2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C15H16N4O2S — CID 651858

IUPAC2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
InChIInChI=1S/C15H16N4O2S/c1-2-19-14-12(6-3-7-16-14)18-15(19)22-10-13(20)17-9-11-5-4-8-21-11/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeyCZTVKPWLNIRYHV-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.45
Rot. Bonds6

About 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 651858) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID651858
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
InChIInChI=1S/C15H16N4O2S/c1-2-19-14-12(6-3-7-16-14)18-15(19)22-10-13(20)17-9-11-5-4-8-21-11/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeyCZTVKPWLNIRYHV-UHFFFAOYSA-N
XLogP2.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 651858) is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCn1c(SCC(=O)NCc2ccco2)nc2cccnc21.
What is the InChIKey of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CZTVKPWLNIRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-19-14-12(6-3-7-16-14)18-15(19)22-10-13(20)17-9-11-5-4-8-21-11/h3-8H,2,9-10H2,1H3,(H,17,20).
What are the key properties of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 316.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 651858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).