3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C20H22N2O2S — CID 82035242

IUPAC3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)CCCC3)nc2sc(C(=O)O)c(CC)n12
InChIInChI=1S/C20H22N2O2S/c1-3-15-17(14-10-9-12-7-5-6-8-13(12)11-14)21-20-22(15)16(4-2)18(25-20)19(23)24/h9-11H,3-8H2,1-2H3,(H,23,24)
InChIKeyKIOVVJBMGORHRK-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.76
Rot. Bonds4

About 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035242) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035242
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)CCCC3)nc2sc(C(=O)O)c(CC)n12
InChIInChI=1S/C20H22N2O2S/c1-3-15-17(14-10-9-12-7-5-6-8-13(12)11-14)21-20-22(15)16(4-2)18(25-20)19(23)24/h9-11H,3-8H2,1-2H3,(H,23,24)
InChIKeyKIOVVJBMGORHRK-UHFFFAOYSA-N
XLogP4.76
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethoxyphenyl)-3,5-diethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035683
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82134601
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194938
3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035233

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035242) is 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1c(-c2ccc3c(c2)CCCC3)nc2sc(C(=O)O)c(CC)n12.
What is the InChIKey of 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is KIOVVJBMGORHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-15-17(14-10-9-12-7-5-6-8-13(12)11-14)21-20-22(15)16(4-2)18(25-20)19(23)24/h9-11H,3-8H2,1-2H3,(H,23,24).
What are the key properties of 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 354.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).