2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid

C10H12N2O2S — CID 83891809

IUPAC2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid
SMILESCc1cn2cc(CC(C)C(=O)O)sc2n1
InChIInChI=1S/C10H12N2O2S/c1-6(9(13)14)3-8-5-12-4-7(2)11-10(12)15-8/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyBGBIWCJLCPYIMH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid

2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid (PubChem CID 83891809) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid
PubChem CID83891809
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid
SMILESCc1cn2cc(CC(C)C(=O)O)sc2n1
InChIInChI=1S/C10H12N2O2S/c1-6(9(13)14)3-8-5-12-4-7(2)11-10(12)15-8/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyBGBIWCJLCPYIMH-UHFFFAOYSA-N
XLogP1.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid (CID 83891809) is 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid is Cc1cn2cc(CC(C)C(=O)O)sc2n1.
What is the InChIKey of 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid?
The InChIKey is BGBIWCJLCPYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(9(13)14)3-8-5-12-4-7(2)11-10(12)15-8/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid?
2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid has a molecular weight of 224.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propanoic acid is sourced from PubChem (CID 83891809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).