ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate

C22H22N2O4S — CID 122379269

IUPACethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)C1(O)CSC2=NC(c3ccc(C)cc3)(c3ccc(C)cc3)C(=O)N21
InChIInChI=1S/C22H22N2O4S/c1-4-28-19(26)21(27)13-29-20-23-22(18(25)24(20)21,16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17/h5-12,27H,4,13H2,1-3H3
InChIKeySGBRHTBLYOYXCP-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.74
Rot. Bonds4

About ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 122379269) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID122379269
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Nameethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)C1(O)CSC2=NC(c3ccc(C)cc3)(c3ccc(C)cc3)C(=O)N21
InChIInChI=1S/C22H22N2O4S/c1-4-28-19(26)21(27)13-29-20-23-22(18(25)24(20)21,16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17/h5-12,27H,4,13H2,1-3H3
InChIKeySGBRHTBLYOYXCP-UHFFFAOYSA-N
XLogP2.74
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate with MolForge

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Related Compounds

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trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl 1-(4-methylphenyl)-2-oxocyclohexane-1-carboxylate
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ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
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ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
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CID 10885390
ethyl (1R,3S,3aR,6aS)-3-ethyl-5-methyl-1-(4-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
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ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
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ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 122379269) is ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)C1(O)CSC2=NC(c3ccc(C)cc3)(c3ccc(C)cc3)C(=O)N21.
What is the InChIKey of ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is SGBRHTBLYOYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-4-28-19(26)21(27)13-29-20-23-22(18(25)24(20)21,16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17/h5-12,27H,4,13H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 410.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6,6-bis(4-methylphenyl)-5-oxo-2H-imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 122379269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).