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

C16H21N5S — CID 56874194

IUPAC5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1
InChIInChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyJOIWUBQZBWJXGV-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.54
Rot. Bonds6

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

5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole (PubChem CID 56874194) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
PubChem CID56874194
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1
InChIInChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20)
InChIKeyJOIWUBQZBWJXGV-UHFFFAOYSA-N
XLogP3.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole (CID 56874194) is 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole is CCc1nc(-c2nccn2CCCc2scnc2C)c(C)[nH]1.
What is the InChIKey of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
The InChIKey is JOIWUBQZBWJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-4-14-19-12(3)15(20-14)16-17-7-9-21(16)8-5-6-13-11(2)18-10-22-13/h7,9-10H,4-6,8H2,1-3H3,(H,19,20).
What are the key properties of 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole?
5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 56874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).