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

C14H20N4OS — CID 133135635

IUPAC4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CN(Cc2csc(C)n2)Cc2cncn2C1
InChIInChI=1S/C14H20N4OS/c1-11-16-13(9-20-11)6-17-4-12(8-19-2)5-18-10-15-3-14(18)7-17/h3,9-10,12H,4-8H2,1-2H3
InChIKeyFKINQFPTBRSCNX-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds4

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

4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 133135635) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID133135635
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCC1CN(Cc2csc(C)n2)Cc2cncn2C1
InChIInChI=1S/C14H20N4OS/c1-11-16-13(9-20-11)6-17-4-12(8-19-2)5-18-10-15-3-14(18)7-17/h3,9-10,12H,4-8H2,1-2H3
InChIKeyFKINQFPTBRSCNX-UHFFFAOYSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (CID 133135635) is 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is COCC1CN(Cc2csc(C)n2)Cc2cncn2C1.
What is the InChIKey of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is FKINQFPTBRSCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-16-13(9-20-11)6-17-4-12(8-19-2)5-18-10-15-3-14(18)7-17/h3,9-10,12H,4-8H2,1-2H3.
What are the key properties of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 133135635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).