2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

C16H16N2O2S — CID 82035976

IUPAC2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(C)c(C)n23)cc1
InChIInChI=1S/C16H16N2O2S/c1-9-4-6-12(7-5-9)15-13(8-14(19)20)21-16-17-10(2)11(3)18(15)16/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyMOIUUQTYNNSZOB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.62
Rot. Bonds3

About 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid

2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 82035976) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID82035976
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)sc3nc(C)c(C)n23)cc1
InChIInChI=1S/C16H16N2O2S/c1-9-4-6-12(7-5-9)15-13(8-14(19)20)21-16-17-10(2)11(3)18(15)16/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyMOIUUQTYNNSZOB-UHFFFAOYSA-N
XLogP3.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[1-methyl-2-(4-methylphenyl)pyrrol-3-yl]acetic acid
CID 96601352
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
2-[3-ethyl-4-(4-methylphenyl)-2-oxopyrimido[2,1-b][1,3]benzothiazol-8-yl]acetic acid
CID 70403304
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 82035976) is 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is Cc1ccc(-c2c(CC(=O)O)sc3nc(C)c(C)n23)cc1.
What is the InChIKey of 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is MOIUUQTYNNSZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-4-6-12(7-5-9)15-13(8-14(19)20)21-16-17-10(2)11(3)18(15)16/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 82035976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).