5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C17H12N2O2S2 — CID 82035798

IUPAC5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2cccs2)nc2sc(C(=O)O)c(-c3ccccc3)n12
InChIInChI=1S/C17H12N2O2S2/c1-10-13(12-8-5-9-22-12)18-17-19(10)14(15(23-17)16(20)21)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyUNALMCDZPBMMKQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.80
Rot. Bonds3

About 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035798) has the molecular formula C17H12N2O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035798
Molecular FormulaC17H12N2O2S2
Molecular Weight340.43 g/mol
Exact Mass340.03
IUPAC Name5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(-c2cccs2)nc2sc(C(=O)O)c(-c3ccccc3)n12
InChIInChI=1S/C17H12N2O2S2/c1-10-13(12-8-5-9-22-12)18-17-19(10)14(15(23-17)16(20)21)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyUNALMCDZPBMMKQ-UHFFFAOYSA-N
XLogP4.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine
CID 13238085
5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 92914379
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036275
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
6-(4-ethylphenyl)-5-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227732

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035798) is 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(-c2cccs2)nc2sc(C(=O)O)c(-c3ccccc3)n12.
What is the InChIKey of 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is UNALMCDZPBMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S2/c1-10-13(12-8-5-9-22-12)18-17-19(10)14(15(23-17)16(20)21)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21).
What are the key properties of 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).