4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole

C18H26N4OS — CID 118744105

IUPAC4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1
InChIInChI=1S/C18H26N4OS/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15/h8,12-13,15H,3-7,9-11H2,1-2H3
InChIKeyZUGZPYQPXAODCX-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.54
Rot. Bonds6

About 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole

4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole (PubChem CID 118744105) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole
PubChem CID118744105
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1
InChIInChI=1S/C18H26N4OS/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15/h8,12-13,15H,3-7,9-11H2,1-2H3
InChIKeyZUGZPYQPXAODCX-UHFFFAOYSA-N
XLogP3.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole (CID 118744105) is 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole is Cc1nc(COCc2cnc3n2CCN(CC2CCC2)C3C)cs1.
What is the InChIKey of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is ZUGZPYQPXAODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-18-19-8-17(11-23-10-16-12-24-14(2)20-16)22(18)7-6-21(13)9-15-4-3-5-15/h8,12-13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole?
4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 346.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118744105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).