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

C15H22N4OS — CID 118743608

IUPAC4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCOCC1CN(Cc2csc(C)n2)Cc2nccn2C1
InChIInChI=1S/C15H22N4OS/c1-3-20-10-13-6-18(8-14-11-21-12(2)17-14)9-15-16-4-5-19(15)7-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyYVDDFQBJMCIVIT-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.32
Rot. Bonds5

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

4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 118743608) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID118743608
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCOCC1CN(Cc2csc(C)n2)Cc2nccn2C1
InChIInChI=1S/C15H22N4OS/c1-3-20-10-13-6-18(8-14-11-21-12(2)17-14)9-15-16-4-5-19(15)7-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyYVDDFQBJMCIVIT-UHFFFAOYSA-N
XLogP2.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (CID 118743608) is 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is CCOCC1CN(Cc2csc(C)n2)Cc2nccn2C1.
What is the InChIKey of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is YVDDFQBJMCIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-20-10-13-6-18(8-14-11-21-12(2)17-14)9-15-16-4-5-19(15)7-13/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 306.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118743608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).