6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one

C6H6N4OS — CID 100910819

IUPAC6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one
SMILESNc1c[nH]c2[nH]c(=S)[nH]c2c1=O
InChIInChI=1S/C6H6N4OS/c7-2-1-8-5-3(4(2)11)9-6(12)10-5/h1H,7H2,(H3,8,9,10,11,12)
InChIKeyFLAVWVVCDKQYNO-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.50
Rot. Bonds

About 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one

6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one (PubChem CID 100910819) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one
PubChem CID100910819
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one
SMILESNc1c[nH]c2[nH]c(=S)[nH]c2c1=O
InChIInChI=1S/C6H6N4OS/c7-2-1-8-5-3(4(2)11)9-6(12)10-5/h1H,7H2,(H3,8,9,10,11,12)
InChIKeyFLAVWVVCDKQYNO-UHFFFAOYSA-N
XLogP0.50
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-2-sulfanylidene-1H-imidazol-4-yl)ethanone
CID 58958470
1-(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
CID 76839863
Propane;1-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethanone
CID 143328363

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one?
The IUPAC name of 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one (CID 100910819) is 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one is Nc1c[nH]c2[nH]c(=S)[nH]c2c1=O.
What is the InChIKey of 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one?
The InChIKey is FLAVWVVCDKQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c7-2-1-8-5-3(4(2)11)9-6(12)10-5/h1H,7H2,(H3,8,9,10,11,12).
What are the key properties of 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one?
6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one has a molecular weight of 182.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-sulfanylidene-3,4-dihydro-1H-imidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 100910819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).