(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid

C15H11FN2O2S — CID 155935526

IUPAC(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid
SMILESO=C(O)[C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C15H11FN2O2S/c16-13(15(19)20)21-14-12(10-6-2-1-3-7-10)17-11-8-4-5-9-18(11)14/h1-9,13H,(H,19,20)/t13-/m0/s1
InChIKeyDRNNXODMQZAENS-ZDUSSCGKSA-N
MW302.33 g/mol
LogP3.47
Rot. Bonds4

About (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid

(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid (PubChem CID 155935526) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid
PubChem CID155935526
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid
SMILESO=C(O)[C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C15H11FN2O2S/c16-13(15(19)20)21-14-12(10-6-2-1-3-7-10)17-11-8-4-5-9-18(11)14/h1-9,13H,(H,19,20)/t13-/m0/s1
InChIKeyDRNNXODMQZAENS-ZDUSSCGKSA-N
XLogP3.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid?
The IUPAC name of (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid (CID 155935526) is (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid.
What is the SMILES notation for (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid?
The canonical SMILES for (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid is O=C(O)[C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid?
The InChIKey is DRNNXODMQZAENS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-13(15(19)20)21-14-12(10-6-2-1-3-7-10)17-11-8-4-5-9-18(11)14/h1-9,13H,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid?
(2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid has a molecular weight of 302.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetic acid is sourced from PubChem (CID 155935526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).