1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

C17H24N4OS — CID 97467334

IUPAC1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C17H24N4OS/c1-3-19(4-2)10-15-11-20-6-7-21(12-16(20)18-15)17(22)9-14-5-8-23-13-14/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyHCXIHTBHLSGRGW-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.37
Rot. Bonds6

About 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (PubChem CID 97467334) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
PubChem CID97467334
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C17H24N4OS/c1-3-19(4-2)10-15-11-20-6-7-21(12-16(20)18-15)17(22)9-14-5-8-23-13-14/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyHCXIHTBHLSGRGW-UHFFFAOYSA-N
XLogP2.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (CID 97467334) is 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is CCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The InChIKey is HCXIHTBHLSGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-19(4-2)10-15-11-20-6-7-21(12-16(20)18-15)17(22)9-14-5-8-23-13-14/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone has a molecular weight of 332.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97467334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).