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

C16H22N4OS — CID 97381671

IUPAC2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCCn3cnc(COCC4CC4)c3C2)n1
InChIInChI=1S/C16H22N4OS/c1-5-19(9-16-17-4-7-22-16)8-15-14(18-12-20(15)6-1)11-21-10-13-2-3-13/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeySHCYUTLXUFOSBX-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.67
Rot. Bonds6

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

2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (PubChem CID 97381671) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
PubChem CID97381671
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCCn3cnc(COCC4CC4)c3C2)n1
InChIInChI=1S/C16H22N4OS/c1-5-19(9-16-17-4-7-22-16)8-15-14(18-12-20(15)6-1)11-21-10-13-2-3-13/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeySHCYUTLXUFOSBX-UHFFFAOYSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (CID 97381671) is 2-[[1-(cyclopropylmethoxymethyl)-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-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is c1csc(CN2CCCn3cnc(COCC4CC4)c3C2)n1.
What is the InChIKey of 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The InChIKey is SHCYUTLXUFOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-5-19(9-16-17-4-7-22-16)8-15-14(18-12-20(15)6-1)11-21-10-13-2-3-13/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97381671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).