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

C9H10N2O2S — CID 39197679

IUPAC2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C9H10N2O2S/c1-4-7(8(12)13)11-5(2)6(3)14-9(11)10-4/h1-3H3,(H,12,13)
InChIKeyLDJHEQDLBXFQHX-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.02
Rot. Bonds1

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

2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 39197679) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID39197679
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C9H10N2O2S/c1-4-7(8(12)13)11-5(2)6(3)14-9(11)10-4/h1-3H3,(H,12,13)
InChIKeyLDJHEQDLBXFQHX-UHFFFAOYSA-N
XLogP2.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 39197679) is 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1nc2sc(C)c(C)n2c1C(=O)O.
What is the InChIKey of 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is LDJHEQDLBXFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-7(8(12)13)11-5(2)6(3)14-9(11)10-4/h1-3H3,(H,12,13).
What are the key properties of 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 39197679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).