2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid

C13H16N2O2S — CID 81228979

IUPAC2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
SMILESCc1ccc2nc(CSC(C)(C)C(=O)O)cn2c1
InChIInChI=1S/C13H16N2O2S/c1-9-4-5-11-14-10(7-15(11)6-9)8-18-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyQMJRZZNJGRCPBU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid

2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid (PubChem CID 81228979) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
PubChem CID81228979
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
SMILESCc1ccc2nc(CSC(C)(C)C(=O)O)cn2c1
InChIInChI=1S/C13H16N2O2S/c1-9-4-5-11-14-10(7-15(11)6-9)8-18-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyQMJRZZNJGRCPBU-UHFFFAOYSA-N
XLogP2.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid (CID 81228979) is 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid is Cc1ccc2nc(CSC(C)(C)C(=O)O)cn2c1.
What is the InChIKey of 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
The InChIKey is QMJRZZNJGRCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-4-5-11-14-10(7-15(11)6-9)8-18-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid?
2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 81228979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).