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

C13H19N3O2S — CID 67409196

IUPAC4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one
SMILESCC1(C)NCCC(=O)c2nc(N3CCOCC3)sc21
InChIInChI=1S/C13H19N3O2S/c1-13(2)11-10(9(17)3-4-14-13)15-12(19-11)16-5-7-18-8-6-16/h14H,3-8H2,1-2H3
InChIKeyHNPJZFHRAFGBRL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.39
Rot. Bonds1

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

4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one (PubChem CID 67409196) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one.

Molecular Properties

Compound Name4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one
PubChem CID67409196
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one
SMILESCC1(C)NCCC(=O)c2nc(N3CCOCC3)sc21
InChIInChI=1S/C13H19N3O2S/c1-13(2)11-10(9(17)3-4-14-13)15-12(19-11)16-5-7-18-8-6-16/h14H,3-8H2,1-2H3
InChIKeyHNPJZFHRAFGBRL-UHFFFAOYSA-N
XLogP1.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one?
The IUPAC name of 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one (CID 67409196) is 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one.
What is the SMILES notation for 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one?
The canonical SMILES for 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one is CC1(C)NCCC(=O)c2nc(N3CCOCC3)sc21.
What is the InChIKey of 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one?
The InChIKey is HNPJZFHRAFGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(2)11-10(9(17)3-4-14-13)15-12(19-11)16-5-7-18-8-6-16/h14H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one?
4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one has a molecular weight of 281.38 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one is sourced from PubChem (CID 67409196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).