ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C22H27N3O2S — CID 53204832

IUPACethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NC3CCCCC3)n2c1C
InChIInChI=1S/C22H27N3O2S/c1-4-27-21(26)19-15(3)25-20(23-17-8-6-5-7-9-17)18(24-22(25)28-19)16-12-10-14(2)11-13-16/h10-13,17,23H,4-9H2,1-3H3
InChIKeyCITWQMPCSHGCAI-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.60
Rot. Bonds5

About ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 53204832) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID53204832
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Nameethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NC3CCCCC3)n2c1C
InChIInChI=1S/C22H27N3O2S/c1-4-27-21(26)19-15(3)25-20(23-17-8-6-5-7-9-17)18(24-22(25)28-19)16-12-10-14(2)11-13-16/h10-13,17,23H,4-9H2,1-3H3
InChIKeyCITWQMPCSHGCAI-UHFFFAOYSA-N
XLogP5.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(cyclohexylamino)-6-(3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204829
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204843
ethyl 5-(cyclopentylamino)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204850
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
diethyl 5-(cyclohexylamino)-1-(4-methylphenyl)pyrazole-3,4-dicarboxylate
CID 135065265
N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579223
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-methylpiperazine-1-carboxamide
CID 50825509
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
ethyl 5-[(4-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204751

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 53204832) is ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(C)cc3)c(NC3CCCCC3)n2c1C.
What is the InChIKey of ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is CITWQMPCSHGCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-4-27-21(26)19-15(3)25-20(23-17-8-6-5-7-9-17)18(24-22(25)28-19)16-12-10-14(2)11-13-16/h10-13,17,23H,4-9H2,1-3H3.
What are the key properties of ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 397.54 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 53204832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).