2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate

C9H10N4O2S — CID 83204055

IUPAC2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate
SMILESNC(=O)OCCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C9H10N4O2S/c10-8(14)15-5-4-13-7-6(12-9(13)16)2-1-3-11-7/h1-3H,4-5H2,(H2,10,14)(H,12,16)
InChIKeyRAULBZPEUWONDY-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate

2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate (PubChem CID 83204055) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate
PubChem CID83204055
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate
SMILESNC(=O)OCCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C9H10N4O2S/c10-8(14)15-5-4-13-7-6(12-9(13)16)2-1-3-11-7/h1-3H,4-5H2,(H2,10,14)(H,12,16)
InChIKeyRAULBZPEUWONDY-UHFFFAOYSA-N
XLogP1.19
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate?
The IUPAC name of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate (CID 83204055) is 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate.
What is the SMILES notation for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate?
The canonical SMILES for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate is NC(=O)OCCn1c(=S)[nH]c2cccnc21.
What is the InChIKey of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate?
The InChIKey is RAULBZPEUWONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-8(14)15-5-4-13-7-6(12-9(13)16)2-1-3-11-7/h1-3H,4-5H2,(H2,10,14)(H,12,16).
What are the key properties of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate?
2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate has a molecular weight of 238.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)ethyl carbamate is sourced from PubChem (CID 83204055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).