methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate

C11H13N3O2S — CID 63808201

IUPACmethyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccn2c1CN
InChIInChI=1S/C11H13N3O2S/c1-16-10(15)7-17-11-8(6-12)14-5-3-2-4-9(14)13-11/h2-5H,6-7,12H2,1H3
InChIKeyOXIDQVFHPAVFJW-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.06
Rot. Bonds4

About methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate

methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate (PubChem CID 63808201) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
PubChem CID63808201
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccn2c1CN
InChIInChI=1S/C11H13N3O2S/c1-16-10(15)7-17-11-8(6-12)14-5-3-2-4-9(14)13-11/h2-5H,6-7,12H2,1H3
InChIKeyOXIDQVFHPAVFJW-UHFFFAOYSA-N
XLogP1.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate (CID 63808201) is methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate is COC(=O)CSc1nc2ccccn2c1CN.
What is the InChIKey of methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The InChIKey is OXIDQVFHPAVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-10(15)7-17-11-8(6-12)14-5-3-2-4-9(14)13-11/h2-5H,6-7,12H2,1H3.
What are the key properties of methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate has a molecular weight of 251.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate is sourced from PubChem (CID 63808201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).