ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C23H29N3O3S — CID 53204849

IUPACethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C23H29N3O3S/c1-5-28-22(27)20-15(4)26-21(24-17-8-6-7-9-17)19(25-23(26)30-20)16-10-12-18(13-11-16)29-14(2)3/h10-14,17,24H,5-9H2,1-4H3
InChIKeyROKSIEXBEUXSDZ-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.69
Rot. Bonds7

About ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204849) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204849
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Nameethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)c(NC3CCCC3)n2c1C
InChIInChI=1S/C23H29N3O3S/c1-5-28-22(27)20-15(4)26-21(24-17-8-6-7-9-17)19(25-23(26)30-20)16-10-12-18(13-11-16)29-14(2)3/h10-14,17,24H,5-9H2,1-4H3
InChIKeyROKSIEXBEUXSDZ-UHFFFAOYSA-N
XLogP5.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204849) is ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)c(NC3CCCC3)n2c1C.
What is the InChIKey of ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is ROKSIEXBEUXSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-5-28-22(27)20-15(4)26-21(24-17-8-6-7-9-17)19(25-23(26)30-20)16-10-12-18(13-11-16)29-14(2)3/h10-14,17,24H,5-9H2,1-4H3.
What are the key properties of ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 427.57 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylamino)-3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).