3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid

C8H8N2O2S — CID 163739368

IUPAC3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)C1=C(S)N2C=CC=CC2N1
InChIInChI=1S/C8H8N2O2S/c11-8(12)6-7(13)10-4-2-1-3-5(10)9-6/h1-5,9,13H,(H,11,12)
InChIKeyLGKULMDRERYZHS-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.48
Rot. Bonds1

About 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid

3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 163739368) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID163739368
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)C1=C(S)N2C=CC=CC2N1
InChIInChI=1S/C8H8N2O2S/c11-8(12)6-7(13)10-4-2-1-3-5(10)9-6/h1-5,9,13H,(H,11,12)
InChIKeyLGKULMDRERYZHS-UHFFFAOYSA-N
XLogP0.48
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 66692564
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CID 152746938
3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
CID 142258519
(1-methyl-2H-pyridin-2-yl)-phenylmethanone
CID 19788053
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 118438397
3-benzyl-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-2,4-dione
CID 134095322
9aH-quinolizine-1,4-dione
CID 23507772
(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
carbamic acid;1-nitroso-2H-pyridin-2-ol
CID 21121026
5-(5-carboxy-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-trien-3-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3-carboxylic acid
CID 101271902
(3R)-3-amino-1-methyl-3H-azepin-2-one
CID 162732977

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 163739368) is 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)C1=C(S)N2C=CC=CC2N1.
What is the InChIKey of 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is LGKULMDRERYZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-8(12)6-7(13)10-4-2-1-3-5(10)9-6/h1-5,9,13H,(H,11,12).
What are the key properties of 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid?
3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 163739368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).