5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid

C10H8N4O2S — CID 82383565

IUPAC5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2scnc2C(=O)O)[nH]c2nccn12
InChIInChI=1S/C10H8N4O2S/c1-5-6(13-10-11-2-3-14(5)10)8-7(9(15)16)12-4-17-8/h2-4H,1H3,(H,11,13)(H,15,16)
InChIKeyJHADWYQFBWCXIB-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.79
Rot. Bonds2

About 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid

5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82383565) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID82383565
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2scnc2C(=O)O)[nH]c2nccn12
InChIInChI=1S/C10H8N4O2S/c1-5-6(13-10-11-2-3-14(5)10)8-7(9(15)16)12-4-17-8/h2-4H,1H3,(H,11,13)(H,15,16)
InChIKeyJHADWYQFBWCXIB-UHFFFAOYSA-N
XLogP1.79
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid (CID 82383565) is 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid is Cc1c(-c2scnc2C(=O)O)[nH]c2nccn12.
What is the InChIKey of 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JHADWYQFBWCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-5-6(13-10-11-2-3-14(5)10)8-7(9(15)16)12-4-17-8/h2-4H,1H3,(H,11,13)(H,15,16).
What are the key properties of 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82383565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).