2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid

C9H8N2O2S — CID 14075745

IUPAC2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2c(=S)cccc12
InChIInChI=1S/C9H8N2O2S/c12-9(13)6-10-4-5-11-7(10)2-1-3-8(11)14/h1-5H,6H2,(H,12,13)
InChIKeyACVXDSMBWKICDY-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.55
Rot. Bonds2

About 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid

2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid (PubChem CID 14075745) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid
PubChem CID14075745
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1ccn2c(=S)cccc12
InChIInChI=1S/C9H8N2O2S/c12-9(13)6-10-4-5-11-7(10)2-1-3-8(11)14/h1-5H,6H2,(H,12,13)
InChIKeyACVXDSMBWKICDY-UHFFFAOYSA-N
XLogP1.55
TPSA46.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid (CID 14075745) is 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid is O=C(O)Cn1ccn2c(=S)cccc12.
What is the InChIKey of 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid?
The InChIKey is ACVXDSMBWKICDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)6-10-4-5-11-7(10)2-1-3-8(11)14/h1-5H,6H2,(H,12,13).
What are the key properties of 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid?
2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid has a molecular weight of 208.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfanylideneimidazo[1,2-a]pyridin-1-yl)acetic acid is sourced from PubChem (CID 14075745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).