ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate

C22H19N3O2S — CID 72543869

IUPACethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc(-c3ccccc3)c(C)n2-c2ccccc2)n1
InChIInChI=1S/C22H19N3O2S/c1-3-27-22(26)18-14-28-21(23-18)20-24-19(16-10-6-4-7-11-16)15(2)25(20)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKeyPPOJJNOVBAXWKD-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.15
Rot. Bonds5

About ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 72543869) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID72543869
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Nameethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc(-c3ccccc3)c(C)n2-c2ccccc2)n1
InChIInChI=1S/C22H19N3O2S/c1-3-27-22(26)18-14-28-21(23-18)20-24-19(16-10-6-4-7-11-16)15(2)25(20)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKeyPPOJJNOVBAXWKD-UHFFFAOYSA-N
XLogP5.15
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-methyl-3-phenylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 67071923
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
CID 131875535
ethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 112794499
ethyl 2-[3-[(N-methylanilino)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904897
ethyl 2-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904818
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
ethyl 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67071978
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate (CID 72543869) is ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2nc(-c3ccccc3)c(C)n2-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is PPOJJNOVBAXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-27-22(26)18-14-28-21(23-18)20-24-19(16-10-6-4-7-11-16)15(2)25(20)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1,4-diphenylimidazol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 72543869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).