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

C15H22N4OS — CID 97381699

IUPAC2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESCC(C)OCc1ncn2c1CN(Cc1nccs1)CCC2
InChIInChI=1S/C15H22N4OS/c1-12(2)20-10-13-14-8-18(9-15-16-4-7-21-15)5-3-6-19(14)11-17-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyJKLBRZJEVSOBTM-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.67
Rot. Bonds5

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

2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (PubChem CID 97381699) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
PubChem CID97381699
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESCC(C)OCc1ncn2c1CN(Cc1nccs1)CCC2
InChIInChI=1S/C15H22N4OS/c1-12(2)20-10-13-14-8-18(9-15-16-4-7-21-15)5-3-6-19(14)11-17-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyJKLBRZJEVSOBTM-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (CID 97381699) is 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is CC(C)OCc1ncn2c1CN(Cc1nccs1)CCC2.
What is the InChIKey of 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The InChIKey is JKLBRZJEVSOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(2)20-10-13-14-8-18(9-15-16-4-7-21-15)5-3-6-19(14)11-17-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole has a molecular weight of 306.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).