ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C22H27N3O5S — CID 53204850

IUPACethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cc(OC)c(O)c(OC)c3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C22H27N3O5S/c1-5-30-21(27)19-12(2)25-20(23-14-8-6-7-9-14)17(24-22(25)31-19)13-10-15(28-3)18(26)16(11-13)29-4/h10-11,14,23,26H,5-9H2,1-4H3
InChIKeyPQTYTPIUWJAROU-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.63
Rot. Bonds7

About ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204850) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204850
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Nameethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cc(OC)c(O)c(OC)c3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C22H27N3O5S/c1-5-30-21(27)19-12(2)25-20(23-14-8-6-7-9-14)17(24-22(25)31-19)13-10-15(28-3)18(26)16(11-13)29-4/h10-11,14,23,26H,5-9H2,1-4H3
InChIKeyPQTYTPIUWJAROU-UHFFFAOYSA-N
XLogP4.63
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204850) is ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3cc(OC)c(O)c(OC)c3)c(NC3CCCC3)n2c1C.
What is the InChIKey of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is PQTYTPIUWJAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-5-30-21(27)19-12(2)25-20(23-14-8-6-7-9-14)17(24-22(25)31-19)13-10-15(28-3)18(26)16(11-13)29-4/h10-11,14,23,26H,5-9H2,1-4H3.
What are the key properties of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 445.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).