4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione

C18H20N4O3S — CID 142739065

IUPAC4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(Cc2ccccc2)c2nc(N3CCOCC3)sc2C1=O
InChIInChI=1S/C18H20N4O3S/c1-20-12-14(23)22(11-13-5-3-2-4-6-13)16-15(17(20)24)26-18(19-16)21-7-9-25-10-8-21/h2-6H,7-12H2,1H3
InChIKeyNWYRMJSINGDQNN-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.60
Rot. Bonds3

About 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione

4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 142739065) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID142739065
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(Cc2ccccc2)c2nc(N3CCOCC3)sc2C1=O
InChIInChI=1S/C18H20N4O3S/c1-20-12-14(23)22(11-13-5-3-2-4-6-13)16-15(17(20)24)26-18(19-16)21-7-9-25-10-8-21/h2-6H,7-12H2,1H3
InChIKeyNWYRMJSINGDQNN-UHFFFAOYSA-N
XLogP1.60
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione (CID 142739065) is 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione is CN1CC(=O)N(Cc2ccccc2)c2nc(N3CCOCC3)sc2C1=O.
What is the InChIKey of 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is NWYRMJSINGDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-20-12-14(23)22(11-13-5-3-2-4-6-13)16-15(17(20)24)26-18(19-16)21-7-9-25-10-8-21/h2-6H,7-12H2,1H3.
What are the key properties of 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 372.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 142739065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).