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

C15H20N4OS — CID 97467308

IUPAC1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H20N4OS/c1-17(2)8-13-9-18-4-5-19(10-14(18)16-13)15(20)7-12-3-6-21-11-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3
InChIKeyBNEYLTABGNYRMH-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.59
Rot. Bonds4

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

1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (PubChem CID 97467308) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
PubChem CID97467308
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCN(C)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H20N4OS/c1-17(2)8-13-9-18-4-5-19(10-14(18)16-13)15(20)7-12-3-6-21-11-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3
InChIKeyBNEYLTABGNYRMH-UHFFFAOYSA-N
XLogP1.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (CID 97467308) is 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is CN(C)Cc1cn2c(n1)CN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The InChIKey is BNEYLTABGNYRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-17(2)8-13-9-18-4-5-19(10-14(18)16-13)15(20)7-12-3-6-21-11-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone has a molecular weight of 304.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97467308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).