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

C19H16N2O2S2 — CID 82035820

IUPAC2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)cn23)cc1C
InChIInChI=1S/C19H16N2O2S2/c1-11-5-6-13(8-12(11)2)18-16(9-17(22)23)25-19-20-14(10-21(18)19)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyCXVAGEVWKOBVPR-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.04
Rot. Bonds4

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

2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 82035820) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID82035820
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC Name2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)cn23)cc1C
InChIInChI=1S/C19H16N2O2S2/c1-11-5-6-13(8-12(11)2)18-16(9-17(22)23)25-19-20-14(10-21(18)19)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyCXVAGEVWKOBVPR-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

Analyze 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid with MolForge

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Related Compounds

2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035806
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811
2-[4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180935
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209712
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704
(2-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine
CID 82062044
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 59384926
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 82035820) is 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is Cc1ccc(-c2c(CC(=O)O)sc3nc(-c4cccs4)cn23)cc1C.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is CXVAGEVWKOBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c1-11-5-6-13(8-12(11)2)18-16(9-17(22)23)25-19-20-14(10-21(18)19)15-4-3-7-24-15/h3-8,10H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[3-(3,4-dimethylphenyl)-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-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 82035820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).