7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

C9H12N4S — CID 84676286

IUPAC7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC(C)n1c(=S)[nH]c2c(N)ccnc21
InChIInChI=1S/C9H12N4S/c1-5(2)13-8-7(12-9(13)14)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11)(H,12,14)
InChIKeyIDBCJGUCBMIMBN-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.26
Rot. Bonds1

About 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 84676286) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID84676286
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCC(C)n1c(=S)[nH]c2c(N)ccnc21
InChIInChI=1S/C9H12N4S/c1-5(2)13-8-7(12-9(13)14)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11)(H,12,14)
InChIKeyIDBCJGUCBMIMBN-UHFFFAOYSA-N
XLogP2.26
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (CID 84676286) is 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is CC(C)n1c(=S)[nH]c2c(N)ccnc21.
What is the InChIKey of 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is IDBCJGUCBMIMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-5(2)13-8-7(12-9(13)14)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11)(H,12,14).
What are the key properties of 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 208.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 84676286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).