methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C17H18N2O2S — CID 19224554

IUPACmethyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1c(C(=O)OC)sc2nc(-c3ccc(C)c(C)c3)cn12
InChIInChI=1S/C17H18N2O2S/c1-5-14-15(16(20)21-4)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,5H2,1-4H3
InChIKeyLRLWGIZLUBVVKV-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.03
Rot. Bonds3

About methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 19224554) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID19224554
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Namemethyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1c(C(=O)OC)sc2nc(-c3ccc(C)c(C)c3)cn12
InChIInChI=1S/C17H18N2O2S/c1-5-14-15(16(20)21-4)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,5H2,1-4H3
InChIKeyLRLWGIZLUBVVKV-UHFFFAOYSA-N
XLogP4.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035502
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035505
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035737
6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035531
methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209712

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 19224554) is methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCc1c(C(=O)OC)sc2nc(-c3ccc(C)c(C)c3)cn12.
What is the InChIKey of methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is LRLWGIZLUBVVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-5-14-15(16(20)21-4)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,5H2,1-4H3.
What are the key properties of methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 19224554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).