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

C17H18N2O2S — CID 19224550

IUPACmethyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1ccc(-c2cn3c(CC)c(C(=O)OC)sc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)13-10-19-14(5-2)15(16(20)21-3)22-17(19)18-13/h6-10H,4-5H2,1-3H3
InChIKeyCJJOPFBYRJSZOA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.97
Rot. Bonds4

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

methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 19224550) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID19224550
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Namemethyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1ccc(-c2cn3c(CC)c(C(=O)OC)sc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)13-10-19-14(5-2)15(16(20)21-3)22-17(19)18-13/h6-10H,4-5H2,1-3H3
InChIKeyCJJOPFBYRJSZOA-UHFFFAOYSA-N
XLogP3.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209736
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 170609694
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 19224550) is methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCc1ccc(-c2cn3c(CC)c(C(=O)OC)sc3n2)cc1.
What is the InChIKey of methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is CJJOPFBYRJSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)13-10-19-14(5-2)15(16(20)21-3)22-17(19)18-13/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 19224550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).