5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid

C9H5N3O2S2 — CID 82382545

IUPAC5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1csc2nccn12
InChIInChI=1S/C9H5N3O2S2/c13-8(14)6-7(16-4-11-6)5-3-15-9-10-1-2-12(5)9/h1-4H,(H,13,14)
InChIKeyWSITXEMYEJSJFD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid

5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 82382545) has the molecular formula C9H5N3O2S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid
PubChem CID82382545
Molecular FormulaC9H5N3O2S2
Molecular Weight251.29 g/mol
Exact Mass250.98
IUPAC Name5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1csc2nccn12
InChIInChI=1S/C9H5N3O2S2/c13-8(14)6-7(16-4-11-6)5-3-15-9-10-1-2-12(5)9/h1-4H,(H,13,14)
InChIKeyWSITXEMYEJSJFD-UHFFFAOYSA-N
XLogP2.22
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035810
5-imidazo[2,1-b][1,3]thiazol-5-yl-2H-triazole-4-carboxylic acid
CID 82377862
5-Imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid
CID 82382546
3-Imidazo[2,1-b][1,3]thiazol-5-ylthiophene-2-carboxylic acid
CID 82382760
4-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382857
4-(3-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382858
4-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382859
4-(2-Methylimidazo[2,1-b][1,3]thiazol-3-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382860
4-(5-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2,5-oxadiazole-3-carboxylic acid
CID 82382861
5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
CID 82383565
6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82383998
4-Imidazo[2,1-b][1,3]thiazol-6-yl-1,2,5-oxadiazole-3-carboxylic acid
CID 82389289

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid (CID 82382545) is 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1csc2nccn12.
What is the InChIKey of 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is WSITXEMYEJSJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2S2/c13-8(14)6-7(16-4-11-6)5-3-15-9-10-1-2-12(5)9/h1-4H,(H,13,14).
What are the key properties of 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid?
5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[2,1-b][1,3]thiazol-3-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82382545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).