2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

C14H20N4OS — CID 97421882

IUPAC2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCCOCc1cnc2n1CCN(Cc1nccs1)[C@H]2C
InChIInChI=1S/C14H20N4OS/c1-3-19-10-12-8-16-14-11(2)17(5-6-18(12)14)9-13-15-4-7-20-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYMVKKZWZOZZVNA-NSHDSACASA-N
MW292.41 g/mol
LogP2.45
Rot. Bonds5

About 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 97421882) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID97421882
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCCOCc1cnc2n1CCN(Cc1nccs1)[C@H]2C
InChIInChI=1S/C14H20N4OS/c1-3-19-10-12-8-16-14-11(2)17(5-6-18(12)14)9-13-15-4-7-20-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYMVKKZWZOZZVNA-NSHDSACASA-N
XLogP2.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
2-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 131644873
(8R)-3-(ethoxymethyl)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421879
2-[[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845569
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
5-[[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 97421978
2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
CID 97421940
N,N-dimethyl-2-[[(8S)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide
CID 97421949
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
8-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131643751
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747086
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049

Frequently Asked Questions

What is the IUPAC name of 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 97421882) is 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is CCOCc1cnc2n1CCN(Cc1nccs1)[C@H]2C.
What is the InChIKey of 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is YMVKKZWZOZZVNA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-19-10-12-8-16-14-11(2)17(5-6-18(12)14)9-13-15-4-7-20-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97421882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).