3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C9H10N2O2S — CID 4014477

IUPAC3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C9H10N2O2S/c1-5(2)7-4-14-9-10-6(8(12)13)3-11(7)9/h3-5H,1-2H3,(H,12,13)
InChIKeyMQZRBJCUHBCNJH-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.22
Rot. Bonds2

About 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 4014477) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID4014477
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(C)c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C9H10N2O2S/c1-5(2)7-4-14-9-10-6(8(12)13)3-11(7)9/h3-5H,1-2H3,(H,12,13)
InChIKeyMQZRBJCUHBCNJH-UHFFFAOYSA-N
XLogP2.22
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3592722
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166660
2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 82061889
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
6-methylimidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 28875808

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 4014477) is 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC(C)c1csc2nc(C(=O)O)cn12.
What is the InChIKey of 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is MQZRBJCUHBCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(2)7-4-14-9-10-6(8(12)13)3-11(7)9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 4014477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).