6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C13H12N6S — CID 56866851

IUPAC6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1[nH]cnc1-c1nccn1Cc1cn2ccsc2n1
InChIInChI=1S/C13H12N6S/c1-9-11(16-8-15-9)12-14-2-3-18(12)6-10-7-19-4-5-20-13(19)17-10/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyJYKOWDBMLLKQMK-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.34
Rot. Bonds3

About 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 56866851) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID56866851
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1[nH]cnc1-c1nccn1Cc1cn2ccsc2n1
InChIInChI=1S/C13H12N6S/c1-9-11(16-8-15-9)12-14-2-3-18(12)6-10-7-19-4-5-20-13(19)17-10/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyJYKOWDBMLLKQMK-UHFFFAOYSA-N
XLogP2.34
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 56866851) is 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1[nH]cnc1-c1nccn1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is JYKOWDBMLLKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-9-11(16-8-15-9)12-14-2-3-18(12)6-10-7-19-4-5-20-13(19)17-10/h2-5,7-8H,6H2,1H3,(H,15,16).
What are the key properties of 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 284.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56866851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).