2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C17H18N2O2S — CID 39200534

IUPAC2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(CC)c(-c3ccc(C)cc3)n2c1C(=O)O
InChIInChI=1S/C17H18N2O2S/c1-4-12-15(16(20)21)19-14(11-8-6-10(3)7-9-11)13(5-2)22-17(19)18-12/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyDYQYVVJMFQVSMH-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.19
Rot. Bonds4

About 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 39200534) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID39200534
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(CC)c(-c3ccc(C)cc3)n2c1C(=O)O
InChIInChI=1S/C17H18N2O2S/c1-4-12-15(16(20)21)19-14(11-8-6-10(3)7-9-11)13(5-2)22-17(19)18-12/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyDYQYVVJMFQVSMH-UHFFFAOYSA-N
XLogP4.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
2,6-diethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035727
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035359
2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035935
2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035976
2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199033
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 39200534) is 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1nc2sc(CC)c(-c3ccc(C)cc3)n2c1C(=O)O.
What is the InChIKey of 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is DYQYVVJMFQVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-12-15(16(20)21)19-14(11-8-6-10(3)7-9-11)13(5-2)22-17(19)18-12/h6-9H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 39200534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).