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

C21H25N3O4S — CID 53204843

IUPACethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C21H25N3O4S/c1-4-28-20(26)18-12(2)24-19(22-14-7-5-6-8-14)17(23-21(24)29-18)13-9-10-15(25)16(11-13)27-3/h9-11,14,22,25H,4-8H2,1-3H3
InChIKeyZGFIKXYODUKVFV-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.62
Rot. Bonds6

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

ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204843) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204843
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Nameethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C21H25N3O4S/c1-4-28-20(26)18-12(2)24-19(22-14-7-5-6-8-14)17(23-21(24)29-18)13-9-10-15(25)16(11-13)27-3/h9-11,14,22,25H,4-8H2,1-3H3
InChIKeyZGFIKXYODUKVFV-UHFFFAOYSA-N
XLogP4.62
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204843) is ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCC3)n2c1C.
What is the InChIKey of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is ZGFIKXYODUKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-28-20(26)18-12(2)24-19(22-14-7-5-6-8-14)17(23-21(24)29-18)13-9-10-15(25)16(11-13)27-3/h9-11,14,22,25H,4-8H2,1-3H3.
What are the key properties of ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 415.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).