[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone

C16H22N4OS — CID 97384409

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C16H22N4OS/c1-12(2)18(3)10-13-9-17-15-11-19(6-7-20(13)15)16(21)14-5-4-8-22-14/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyBXUIUIJLYOKZKX-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.44
Rot. Bonds4

About [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone

[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone (PubChem CID 97384409) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
PubChem CID97384409
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C16H22N4OS/c1-12(2)18(3)10-13-9-17-15-11-19(6-7-20(13)15)16(21)14-5-4-8-22-14/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyBXUIUIJLYOKZKX-UHFFFAOYSA-N
XLogP2.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone (CID 97384409) is [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone is CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccs1)C2.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
The InChIKey is BXUIUIJLYOKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12(2)18(3)10-13-9-17-15-11-19(6-7-20(13)15)16(21)14-5-4-8-22-14/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone?
[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone has a molecular weight of 318.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97384409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).