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

C13H15N5S — CID 56917449

IUPAC4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1csc(Cn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C13H15N5S/c1-3-10-7-19-11(17-10)6-18-5-4-14-13(18)12-9(2)15-8-16-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyYIMDXOUHYQNVSS-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.65
Rot. Bonds4

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

4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 56917449) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID56917449
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1csc(Cn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C13H15N5S/c1-3-10-7-19-11(17-10)6-18-5-4-14-13(18)12-9(2)15-8-16-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyYIMDXOUHYQNVSS-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 56917449) is 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is CCc1csc(Cn2ccnc2-c2nc[nH]c2C)n1.
What is the InChIKey of 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is YIMDXOUHYQNVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-10-7-19-11(17-10)6-18-5-4-14-13(18)12-9(2)15-8-16-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 273.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56917449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).