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

C9H6N4O2S — CID 82389821

IUPAC5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cn2ccnc2[nH]1
InChIInChI=1S/C9H6N4O2S/c14-8(15)6-7(16-4-11-6)5-3-13-2-1-10-9(13)12-5/h1-4H,(H,10,12)(H,14,15)
InChIKeyGFMWRLPFEMPZLQ-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.48
Rot. Bonds2

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

5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82389821) has the molecular formula C9H6N4O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID82389821
Molecular FormulaC9H6N4O2S
Molecular Weight234.24 g/mol
Exact Mass234.02
IUPAC Name5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cn2ccnc2[nH]1
InChIInChI=1S/C9H6N4O2S/c14-8(15)6-7(16-4-11-6)5-3-13-2-1-10-9(13)12-5/h1-4H,(H,10,12)(H,14,15)
InChIKeyGFMWRLPFEMPZLQ-UHFFFAOYSA-N
XLogP1.48
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid (CID 82389821) is 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1cn2ccnc2[nH]1.
What is the InChIKey of 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GFMWRLPFEMPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S/c14-8(15)6-7(16-4-11-6)5-3-13-2-1-10-9(13)12-5/h1-4H,(H,10,12)(H,14,15).
What are the key properties of 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid?
5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 234.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).