N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C13H12N4O2S — CID 20908487

IUPACN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)NCc1ccco1
InChIInChI=1S/C13H12N4O2S/c18-11(15-7-9-3-2-6-19-9)8-20-13-16-10-4-1-5-14-12(10)17-13/h1-6H,7-8H2,(H,15,18)(H,14,16,17)
InChIKeyWYWJDDNUIUCVGX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.96
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 20908487) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID20908487
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)NCc1ccco1
InChIInChI=1S/C13H12N4O2S/c18-11(15-7-9-3-2-6-19-9)8-20-13-16-10-4-1-5-14-12(10)17-13/h1-6H,7-8H2,(H,15,18)(H,14,16,17)
InChIKeyWYWJDDNUIUCVGX-UHFFFAOYSA-N
XLogP1.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 20908487) is N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is O=C(CSc1nc2ncccc2[nH]1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is WYWJDDNUIUCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-11(15-7-9-3-2-6-19-9)8-20-13-16-10-4-1-5-14-12(10)17-13/h1-6H,7-8H2,(H,15,18)(H,14,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 288.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 20908487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).