2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C19H16N2O2S2 — CID 82035806

IUPAC2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)c(C)n23)cc1
InChIInChI=1S/C19H16N2O2S2/c1-11-5-7-13(8-6-11)18-15(10-16(22)23)25-19-20-17(12(2)21(18)19)14-4-3-9-24-14/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyDVOAJFPRSRXECZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.04
Rot. Bonds4

About 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 82035806) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID82035806
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC Name2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)c(C)n23)cc1
InChIInChI=1S/C19H16N2O2S2/c1-11-5-7-13(8-6-11)18-15(10-16(22)23)25-19-20-17(12(2)21(18)19)14-4-3-9-24-14/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyDVOAJFPRSRXECZ-UHFFFAOYSA-N
XLogP5.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035976
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035798
2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035820
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 59384926
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499
N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036275
5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 92914379

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 82035806) is 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is Cc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)c(C)n23)cc1.
What is the InChIKey of 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is DVOAJFPRSRXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c1-11-5-7-13(8-6-11)18-15(10-16(22)23)25-19-20-17(12(2)21(18)19)14-4-3-9-24-14/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 368.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 82035806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).