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

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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).