2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C11H14N2O2S — CID 79022456

IUPAC2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C11H14N2O2S/c1-4-5-8-9(10(14)15)13-6(2)7(3)16-11(13)12-8/h4-5H2,1-3H3,(H,14,15)
InChIKeyMOTOTBDSFZFURC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.66
Rot. Bonds3

About 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 79022456) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID79022456
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C11H14N2O2S/c1-4-5-8-9(10(14)15)13-6(2)7(3)16-11(13)12-8/h4-5H2,1-3H3,(H,14,15)
InChIKeyMOTOTBDSFZFURC-UHFFFAOYSA-N
XLogP2.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 79022456) is 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCc1nc2sc(C)c(C)n2c1C(=O)O.
What is the InChIKey of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is MOTOTBDSFZFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-4-5-8-9(10(14)15)13-6(2)7(3)16-11(13)12-8/h4-5H2,1-3H3,(H,14,15).
What are the key properties of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 238.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 79022456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).