(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H21N3OS — CID 97421876

IUPAC(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCOCc1cnc2n1CCN(Cc1cccs1)[C@H]2C
InChIInChI=1S/C15H21N3OS/c1-3-19-11-13-9-16-15-12(2)17(6-7-18(13)15)10-14-5-4-8-20-14/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyNZOPFDHPRIHLKV-LBPRGKRZSA-N
MW291.42 g/mol
LogP3.06
Rot. Bonds5

About (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97421876) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97421876
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCOCc1cnc2n1CCN(Cc1cccs1)[C@H]2C
InChIInChI=1S/C15H21N3OS/c1-3-19-11-13-9-16-15-12(2)17(6-7-18(13)15)10-14-5-4-8-20-14/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyNZOPFDHPRIHLKV-LBPRGKRZSA-N
XLogP3.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97421876) is (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCOCc1cnc2n1CCN(Cc1cccs1)[C@H]2C.
What is the InChIKey of (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is NZOPFDHPRIHLKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-19-11-13-9-16-15-12(2)17(6-7-18(13)15)10-14-5-4-8-20-14/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 291.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97421876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).