2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid

C8H6N2O3S2 — CID 16641932

IUPAC2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
SMILESO=Cc1c(SCC(=O)O)nc2sccn12
InChIInChI=1S/C8H6N2O3S2/c11-3-5-7(15-4-6(12)13)9-8-10(5)1-2-14-8/h1-3H,4H2,(H,12,13)
InChIKeyJKXWZMABZFBUJM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.38
Rot. Bonds4

About 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid

2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid (PubChem CID 16641932) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
PubChem CID16641932
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
SMILESO=Cc1c(SCC(=O)O)nc2sccn12
InChIInChI=1S/C8H6N2O3S2/c11-3-5-7(15-4-6(12)13)9-8-10(5)1-2-14-8/h1-3H,4H2,(H,12,13)
InChIKeyJKXWZMABZFBUJM-UHFFFAOYSA-N
XLogP1.38
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid (CID 16641932) is 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid is O=Cc1c(SCC(=O)O)nc2sccn12.
What is the InChIKey of 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The InChIKey is JKXWZMABZFBUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-3-5-7(15-4-6(12)13)9-8-10(5)1-2-14-8/h1-3H,4H2,(H,12,13).
What are the key properties of 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid has a molecular weight of 242.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid is sourced from PubChem (CID 16641932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).