N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C15H12N4O3S — CID 586414

IUPACN-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O3S/c20-13(17-9-3-4-11-12(6-9)22-8-21-11)7-23-15-18-10-2-1-5-16-14(10)19-15/h1-6H,7-8H2,(H,17,20)(H,16,18,19)
InChIKeyLNWMFFCGLQMEAZ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.42
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 586414) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID586414
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O3S/c20-13(17-9-3-4-11-12(6-9)22-8-21-11)7-23-15-18-10-2-1-5-16-14(10)19-15/h1-6H,7-8H2,(H,17,20)(H,16,18,19)
InChIKeyLNWMFFCGLQMEAZ-UHFFFAOYSA-N
XLogP2.42
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 586414) is N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is O=C(CSc1nc2ncccc2[nH]1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is LNWMFFCGLQMEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-13(17-9-3-4-11-12(6-9)22-8-21-11)7-23-15-18-10-2-1-5-16-14(10)19-15/h1-6H,7-8H2,(H,17,20)(H,16,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 328.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 586414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).