methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate

C12H14N2O2S — CID 86801501

IUPACmethyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
SMILESCOC(=O)C(C)SCc1cnc2ccccn12
InChIInChI=1S/C12H14N2O2S/c1-9(12(15)16-2)17-8-10-7-13-11-5-3-4-6-14(10)11/h3-7,9H,8H2,1-2H3
InChIKeyPPMQIUSTJYOWQA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.13
Rot. Bonds4

About methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate

methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate (PubChem CID 86801501) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
PubChem CID86801501
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
SMILESCOC(=O)C(C)SCc1cnc2ccccn12
InChIInChI=1S/C12H14N2O2S/c1-9(12(15)16-2)17-8-10-7-13-11-5-3-4-6-14(10)11/h3-7,9H,8H2,1-2H3
InChIKeyPPMQIUSTJYOWQA-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
Imidazo[1,2-a]pyridine-3-acetic acid
CID 87284
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
Ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 3214182
3-Bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3388975
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
Ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate
CID 4122247
2-(((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)acetic acid
CID 4262836
Methyl 3-({2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl}sulfanyl)propanoate
CID 24754918
Imidazo[1,2-a]pyridin-2-yl-acetic acid
CID 326089
2-Methylimidazo[1,2-a]pyridine
CID 136742

Frequently Asked Questions

What is the IUPAC name of methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate?
The IUPAC name of methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate (CID 86801501) is methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate?
The canonical SMILES for methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate is COC(=O)C(C)SCc1cnc2ccccn12.
What is the InChIKey of methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate?
The InChIKey is PPMQIUSTJYOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9(12(15)16-2)17-8-10-7-13-11-5-3-4-6-14(10)11/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate?
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate has a molecular weight of 250.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate is sourced from PubChem (CID 86801501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).