2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

C18H18N2O2S — CID 82062351

IUPAC2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCc1csc2nc(-c3ccc4c(c3)CCCC4)c(CC(=O)O)n12
InChIInChI=1S/C18H18N2O2S/c1-11-10-23-18-19-17(15(20(11)18)9-16(21)22)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,10H,2-5,9H2,1H3,(H,21,22)
InChIKeyATIWQEXJRVSQEB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.88
Rot. Bonds3

About 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (PubChem CID 82062351) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
PubChem CID82062351
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCc1csc2nc(-c3ccc4c(c3)CCCC4)c(CC(=O)O)n12
InChIInChI=1S/C18H18N2O2S/c1-11-10-23-18-19-17(15(20(11)18)9-16(21)22)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,10H,2-5,9H2,1H3,(H,21,22)
InChIKeyATIWQEXJRVSQEB-UHFFFAOYSA-N
XLogP3.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194938
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 82035764
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
CID 82305106
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (CID 82062351) is 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is Cc1csc2nc(-c3ccc4c(c3)CCCC4)c(CC(=O)O)n12.
What is the InChIKey of 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The InChIKey is ATIWQEXJRVSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-10-23-18-19-17(15(20(11)18)9-16(21)22)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,10H,2-5,9H2,1H3,(H,21,22).
What are the key properties of 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid has a molecular weight of 326.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is sourced from PubChem (CID 82062351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).