2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

C16H16N2O2S — CID 13259023

IUPAC2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)s1
InChIInChI=1S/C16H16N2O2S/c1-3-11-5-6-13(21-11)16-12(8-15(19)20)18-9-10(2)4-7-14(18)17-16/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyOISWOMQWPOWMOY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 13259023) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID13259023
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)s1
InChIInChI=1S/C16H16N2O2S/c1-3-11-5-6-13(21-11)16-12(8-15(19)20)18-9-10(2)4-7-14(18)17-16/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyOISWOMQWPOWMOY-UHFFFAOYSA-N
XLogP3.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 13259023) is 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is CCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)s1.
What is the InChIKey of 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is OISWOMQWPOWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-11-5-6-13(21-11)16-12(8-15(19)20)18-9-10(2)4-7-14(18)17-16/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethylthiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 13259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).