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

C16H24N4S — CID 97471117

IUPACN-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H24N4S/c1-13(2)18(3)10-15-8-17-16-11-19(5-6-20(15)16)9-14-4-7-21-12-14/h4,7-8,12-13H,5-6,9-11H2,1-3H3
InChIKeyROIWDZRLCMNLIU-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.80
Rot. Bonds5

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

N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine (PubChem CID 97471117) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
PubChem CID97471117
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H24N4S/c1-13(2)18(3)10-15-8-17-16-11-19(5-6-20(15)16)9-14-4-7-21-12-14/h4,7-8,12-13H,5-6,9-11H2,1-3H3
InChIKeyROIWDZRLCMNLIU-UHFFFAOYSA-N
XLogP2.80
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine (CID 97471117) is N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine is CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2.
What is the InChIKey of N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The InChIKey is ROIWDZRLCMNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-13(2)18(3)10-15-8-17-16-11-19(5-6-20(15)16)9-14-4-7-21-12-14/h4,7-8,12-13H,5-6,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 97471117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).