imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

C6H4N2O2S — CID 22750131

IUPACimidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nccn12
InChIInChI=1S/C6H4N2O2S/c9-5(10)4-3-11-6-7-1-2-8(4)6/h1-3H,(H,9,10)
InChIKeyDUMUNAZNDFRJPK-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.09
Rot. Bonds1

About imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (PubChem CID 22750131) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazole-3-carboxylic acid
PubChem CID22750131
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Nameimidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nccn12
InChIInChI=1S/C6H4N2O2S/c9-5(10)4-3-11-6-7-1-2-8(4)6/h1-3H,(H,9,10)
InChIKeyDUMUNAZNDFRJPK-UHFFFAOYSA-N
XLogP1.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The IUPAC name of imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (CID 22750131) is imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is O=C(O)c1csc2nccn12.
What is the InChIKey of imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The InChIKey is DUMUNAZNDFRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-5(10)4-3-11-6-7-1-2-8(4)6/h1-3H,(H,9,10).
What are the key properties of imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
imidazo[2,1-b][1,3]thiazole-3-carboxylic acid has a molecular weight of 168.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 22750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).