2,3-dihydroimidazo[1,2-a]pyridine-2-thiol

C7H8N2S — CID 143857289

IUPAC2,3-dihydroimidazo[1,2-a]pyridine-2-thiol
SMILESSC1CN2C=CC=CC2=N1
InChIInChI=1S/C7H8N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4,7,10H,5H2
InChIKeyJABAZIBWXOOPKJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.04
Rot. Bonds

About 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol

2,3-dihydroimidazo[1,2-a]pyridine-2-thiol (PubChem CID 143857289) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol.

Molecular Properties

Compound Name2,3-dihydroimidazo[1,2-a]pyridine-2-thiol
PubChem CID143857289
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2,3-dihydroimidazo[1,2-a]pyridine-2-thiol
SMILESSC1CN2C=CC=CC2=N1
InChIInChI=1S/C7H8N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4,7,10H,5H2
InChIKeyJABAZIBWXOOPKJ-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroimidazo[1,2-a]pyridine
CID 23423819
3-Sulfenylimidazo[1,2-a]pyridine
CID 129832323
Thioxoimidazo[1,2-a]pyridine
CID 167530405
2,3-Dihydroimidazo[1,2-a]pyridine;ethane
CID 145357461
2,3-Dihydroimidazo[1,2-a]pyridine;phosphane
CID 178089076
2,3-Dihydroimidazo[1,2-a]pyridine hydrobromide
CID 71777092
3,5-Dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol
CID 88792901

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol?
The IUPAC name of 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol (CID 143857289) is 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol.
What is the SMILES notation for 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol?
The canonical SMILES for 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol is SC1CN2C=CC=CC2=N1.
What is the InChIKey of 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol?
The InChIKey is JABAZIBWXOOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4,7,10H,5H2.
What are the key properties of 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol?
2,3-dihydroimidazo[1,2-a]pyridine-2-thiol has a molecular weight of 152.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroimidazo[1,2-a]pyridine-2-thiol is sourced from PubChem (CID 143857289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).