4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole

C16H24N4O2S — CID 118746535

IUPAC4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCOCCN1Cc2nccn2CC(COCc2csc(C)n2)C1
InChIInChI=1S/C16H24N4O2S/c1-13-18-15(12-23-13)11-22-10-14-7-19(5-6-21-2)9-16-17-3-4-20(16)8-14/h3-4,12,14H,5-11H2,1-2H3
InChIKeyQLLDBVNBYCWMAO-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.94
Rot. Bonds7

About 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole

4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole (PubChem CID 118746535) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole
PubChem CID118746535
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCOCCN1Cc2nccn2CC(COCc2csc(C)n2)C1
InChIInChI=1S/C16H24N4O2S/c1-13-18-15(12-23-13)11-22-10-14-7-19(5-6-21-2)9-16-17-3-4-20(16)8-14/h3-4,12,14H,5-11H2,1-2H3
InChIKeyQLLDBVNBYCWMAO-UHFFFAOYSA-N
XLogP1.94
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole (CID 118746535) is 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole is COCCN1Cc2nccn2CC(COCc2csc(C)n2)C1.
What is the InChIKey of 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is QLLDBVNBYCWMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-13-18-15(12-23-13)11-22-10-14-7-19(5-6-21-2)9-16-17-3-4-20(16)8-14/h3-4,12,14H,5-11H2,1-2H3.
What are the key properties of 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole?
4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 336.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).