2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C9H10N2O2S — CID 13060126

IUPAC2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7/h4H,3H2,1-2H3,(H,12,13)
InChIKeyXNMXTGLJKDSVOT-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.96
Rot. Bonds2

About 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 13060126) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID13060126
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7/h4H,3H2,1-2H3,(H,12,13)
InChIKeyXNMXTGLJKDSVOT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 13060126) is 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCc1sc2nc(C(=O)O)cn2c1C.
What is the InChIKey of 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is XNMXTGLJKDSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 13060126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).