3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C16H16N2O2S — CID 3918771

IUPAC3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)Cc1ccc(-c2csc3nc(C(=O)O)cn23)cc1
InChIInChI=1S/C16H16N2O2S/c1-10(2)7-11-3-5-12(6-4-11)14-9-21-16-17-13(15(19)20)8-18(14)16/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyVYUOJNNGQCGWGK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.96
Rot. Bonds4

About 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3918771) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3918771
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)Cc1ccc(-c2csc3nc(C(=O)O)cn23)cc1
InChIInChI=1S/C16H16N2O2S/c1-10(2)7-11-3-5-12(6-4-11)14-9-21-16-17-13(15(19)20)8-18(14)16/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyVYUOJNNGQCGWGK-UHFFFAOYSA-N
XLogP3.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95475103
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82478196
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3592722
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3918771) is 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC(C)Cc1ccc(-c2csc3nc(C(=O)O)cn23)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is VYUOJNNGQCGWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(2)7-11-3-5-12(6-4-11)14-9-21-16-17-13(15(19)20)8-18(14)16/h3-6,8-10H,7H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3918771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).