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

C17H15N5S — CID 56868337

IUPAC5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1[nH]cnc1-c1nccn1Cc1scnc1-c1ccccc1
InChIInChI=1S/C17H15N5S/c1-12-15(20-10-19-12)17-18-7-8-22(17)9-14-16(21-11-23-14)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyVAXUEAJVVMKDMB-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.75
Rot. Bonds4

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

5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 56868337) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID56868337
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1[nH]cnc1-c1nccn1Cc1scnc1-c1ccccc1
InChIInChI=1S/C17H15N5S/c1-12-15(20-10-19-12)17-18-7-8-22(17)9-14-16(21-11-23-14)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyVAXUEAJVVMKDMB-UHFFFAOYSA-N
XLogP3.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole (CID 56868337) is 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole is Cc1[nH]cnc1-c1nccn1Cc1scnc1-c1ccccc1.
What is the InChIKey of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is VAXUEAJVVMKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-15(20-10-19-12)17-18-7-8-22(17)9-14-16(21-11-23-14)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,20).
What are the key properties of 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 56868337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).