propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate

C11H13N3O2S — CID 665801

IUPACpropan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
SMILESCC(C)OC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2S/c1-7(2)16-9(15)6-17-11-13-8-4-3-5-12-10(8)14-11/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeySOMVCSGFSWAGIK-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.00
Rot. Bonds4

About propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate

propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate (PubChem CID 665801) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
PubChem CID665801
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namepropan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
SMILESCC(C)OC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2S/c1-7(2)16-9(15)6-17-11-13-8-4-3-5-12-10(8)14-11/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeySOMVCSGFSWAGIK-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The IUPAC name of propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate (CID 665801) is propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate.
What is the SMILES notation for propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The canonical SMILES for propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate is CC(C)OC(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
The InChIKey is SOMVCSGFSWAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(2)16-9(15)6-17-11-13-8-4-3-5-12-10(8)14-11/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate?
propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate has a molecular weight of 251.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate is sourced from PubChem (CID 665801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).