6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

C20H28N4OS — CID 155521675

IUPAC6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCOc1ccccc1N1CCN(CCN2CCc3ncsc3CC2)CC1
InChIInChI=1S/C20H28N4OS/c1-25-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-8-6-17-20(7-9-22)26-16-21-17/h2-5,16H,6-15H2,1H3
InChIKeyMKGANIZVJZGXEI-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.37
Rot. Bonds5

About 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 155521675) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID155521675
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCOc1ccccc1N1CCN(CCN2CCc3ncsc3CC2)CC1
InChIInChI=1S/C20H28N4OS/c1-25-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-8-6-17-20(7-9-22)26-16-21-17/h2-5,16H,6-15H2,1H3
InChIKeyMKGANIZVJZGXEI-UHFFFAOYSA-N
XLogP2.37
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine 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 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 155521675) is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is COc1ccccc1N1CCN(CCN2CCc3ncsc3CC2)CC1.
What is the InChIKey of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is MKGANIZVJZGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-25-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-8-6-17-20(7-9-22)26-16-21-17/h2-5,16H,6-15H2,1H3.
What are the key properties of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 372.54 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 155521675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).