2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C16H23N5O2S — CID 124812405

IUPAC2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCc1nc(COC[C@@H]2CN(C(=O)CN(C)C)Cc3cncn32)cs1
InChIInChI=1S/C16H23N5O2S/c1-12-18-13(10-24-12)8-23-9-15-6-20(16(22)7-19(2)3)5-14-4-17-11-21(14)15/h4,10-11,15H,5-9H2,1-3H3/t15-/m0/s1
InChIKeyZRAPQCUDOBVGFD-HNNXBMFYSA-N
MW349.46 g/mol
LogP1.31
Rot. Bonds6

About 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 124812405) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID124812405
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCc1nc(COC[C@@H]2CN(C(=O)CN(C)C)Cc3cncn32)cs1
InChIInChI=1S/C16H23N5O2S/c1-12-18-13(10-24-12)8-23-9-15-6-20(16(22)7-19(2)3)5-14-4-17-11-21(14)15/h4,10-11,15H,5-9H2,1-3H3/t15-/m0/s1
InChIKeyZRAPQCUDOBVGFD-HNNXBMFYSA-N
XLogP1.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 124812405) is 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is Cc1nc(COC[C@@H]2CN(C(=O)CN(C)C)Cc3cncn32)cs1.
What is the InChIKey of 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is ZRAPQCUDOBVGFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-18-13(10-24-12)8-23-9-15-6-20(16(22)7-19(2)3)5-14-4-17-11-21(14)15/h4,10-11,15H,5-9H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 349.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(5S)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 124812405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).