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

C23H22FN3O3S — CID 53204751

IUPACethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3OC)c(NCc3ccc(F)cc3)n2c1C
InChIInChI=1S/C23H22FN3O3S/c1-4-30-22(28)20-14(2)27-21(25-13-15-9-11-16(24)12-10-15)19(26-23(27)31-20)17-7-5-6-8-18(17)29-3/h5-12,25H,4,13H2,1-3H3
InChIKeyVHXKOUWJWCAWLD-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.31
Rot. Bonds7

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

ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204751) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204751
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Nameethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccc3OC)c(NCc3ccc(F)cc3)n2c1C
InChIInChI=1S/C23H22FN3O3S/c1-4-30-22(28)20-14(2)27-21(25-13-15-9-11-16(24)12-10-15)19(26-23(27)31-20)17-7-5-6-8-18(17)29-3/h5-12,25H,4,13H2,1-3H3
InChIKeyVHXKOUWJWCAWLD-UHFFFAOYSA-N
XLogP5.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
ethyl 5-[(2-chlorophenyl)methylamino]-6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate;hydrochloride
CID 146062430
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204843
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 3997507
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518
ethyl 5-(cyclohexylamino)-6-(3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204829
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 2-[[2-(2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738298
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204832
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204751) is ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccccc3OC)c(NCc3ccc(F)cc3)n2c1C.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is VHXKOUWJWCAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-4-30-22(28)20-14(2)27-21(25-13-15-9-11-16(24)12-10-15)19(26-23(27)31-20)17-7-5-6-8-18(17)29-3/h5-12,25H,4,13H2,1-3H3.
What are the key properties of ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).