ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C24H25N3O4S — CID 53204701

IUPACethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3ccc(OC)cc3)n2c1C
InChIInChI=1S/C24H25N3O4S/c1-5-31-23(28)21-15(2)27-22(25-14-16-6-10-18(29-3)11-7-16)20(26-24(27)32-21)17-8-12-19(30-4)13-9-17/h6-13,25H,5,14H2,1-4H3
InChIKeyJRHRTTRYJDUIFR-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.18
Rot. Bonds8

About ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204701) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204701
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Nameethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3ccc(OC)cc3)n2c1C
InChIInChI=1S/C24H25N3O4S/c1-5-31-23(28)21-15(2)27-22(25-14-16-6-10-18(29-3)11-7-16)20(26-24(27)32-21)17-8-12-19(30-4)13-9-17/h6-13,25H,5,14H2,1-4H3
InChIKeyJRHRTTRYJDUIFR-UHFFFAOYSA-N
XLogP5.18
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204751
ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
CID 146062430
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204832
5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 53041160
ethyl 5-(cyclohexylamino)-6-(3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204829
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204843
ethyl 2-[(4-methoxyphenyl)methylamino]cyclohexene-1-carboxylate
CID 71499745
[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53041161
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204850
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204701) is ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)c(NCc3ccc(OC)cc3)n2c1C.
What is the InChIKey of ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is JRHRTTRYJDUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-5-31-23(28)21-15(2)27-22(25-14-16-6-10-18(29-3)11-7-16)20(26-24(27)32-21)17-8-12-19(30-4)13-9-17/h6-13,25H,5,14H2,1-4H3.
What are the key properties of ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 451.55 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).