2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid

C23H16N2O2S — CID 82035386

IUPAC2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1sc2nc(-c3ccc4ccccc4c3)cn2c1-c1ccccc1
InChIInChI=1S/C23H16N2O2S/c26-21(27)13-20-22(16-7-2-1-3-8-16)25-14-19(24-23(25)28-20)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14H,13H2,(H,26,27)
InChIKeyNUVFEDMULFGAQA-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.51
Rot. Bonds4

About 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid

2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid (PubChem CID 82035386) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
PubChem CID82035386
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1sc2nc(-c3ccc4ccccc4c3)cn2c1-c1ccccc1
InChIInChI=1S/C23H16N2O2S/c26-21(27)13-20-22(16-7-2-1-3-8-16)25-14-19(24-23(25)28-20)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14H,13H2,(H,26,27)
InChIKeyNUVFEDMULFGAQA-UHFFFAOYSA-N
XLogP5.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035856
2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035820
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035233
3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 139241039
3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylanilino)-3-oxopropanoic acid
CID 139878182
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753
2-(2-naphthalen-2-yl-6-phenylphenyl)acetic acid
CID 69422922
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 54187003
2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035976
N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
CID 3564728

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid?
The IUPAC name of 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid (CID 82035386) is 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid is O=C(O)Cc1sc2nc(-c3ccc4ccccc4c3)cn2c1-c1ccccc1.
What is the InChIKey of 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid?
The InChIKey is NUVFEDMULFGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-21(27)13-20-22(16-7-2-1-3-8-16)25-14-19(24-23(25)28-20)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14H,13H2,(H,26,27).
What are the key properties of 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid?
2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid has a molecular weight of 384.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid is sourced from PubChem (CID 82035386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).