methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate

C13H11N3O2S2 — CID 129432395

IUPACmethyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](Sc1nccn2ccnc12)c1ccsc1
InChIInChI=1S/C13H11N3O2S2/c1-18-13(17)10(9-2-7-19-8-9)20-12-11-14-3-5-16(11)6-4-15-12/h2-8,10H,1H3/t10-/m0/s1
InChIKeyBSNYTASEAJLAHH-JTQLQIEISA-N
MW305.38 g/mol
LogP2.80
Rot. Bonds4

About methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate

methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate (PubChem CID 129432395) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate
PubChem CID129432395
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Namemethyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](Sc1nccn2ccnc12)c1ccsc1
InChIInChI=1S/C13H11N3O2S2/c1-18-13(17)10(9-2-7-19-8-9)20-12-11-14-3-5-16(11)6-4-15-12/h2-8,10H,1H3/t10-/m0/s1
InChIKeyBSNYTASEAJLAHH-JTQLQIEISA-N
XLogP2.80
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetylsulfanyl-2-thiophen-3-ylacetate
CID 11138963
methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
CID 124732403
methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
CID 119051080
methyl (2R)-2-thiophen-3-yl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
CID 124883203
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
CID 80885709

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate (CID 129432395) is methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate is COC(=O)[C@@H](Sc1nccn2ccnc12)c1ccsc1.
What is the InChIKey of methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate?
The InChIKey is BSNYTASEAJLAHH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-18-13(17)10(9-2-7-19-8-9)20-12-11-14-3-5-16(11)6-4-15-12/h2-8,10H,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate?
methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate has a molecular weight of 305.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-2-thiophen-3-ylacetate is sourced from PubChem (CID 129432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).