6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

C13H19N3O2S — CID 11999034

IUPAC6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CCc2nc(N3CCOCC3)sc2C(=O)N1
InChIInChI=1S/C13H19N3O2S/c1-13(2)4-3-9-10(11(17)15-13)19-12(14-9)16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,15,17)
InChIKeyNCLIDIVIWOZSSG-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.43
Rot. Bonds1

About 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 11999034) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID11999034
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CCc2nc(N3CCOCC3)sc2C(=O)N1
InChIInChI=1S/C13H19N3O2S/c1-13(2)4-3-9-10(11(17)15-13)19-12(14-9)16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,15,17)
InChIKeyNCLIDIVIWOZSSG-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (CID 11999034) is 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is CC1(C)CCc2nc(N3CCOCC3)sc2C(=O)N1.
What is the InChIKey of 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is NCLIDIVIWOZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(2)4-3-9-10(11(17)15-13)19-12(14-9)16-5-7-18-8-6-16/h3-8H2,1-2H3,(H,15,17).
What are the key properties of 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 281.38 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 11999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).