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

C11H15N3O2S — CID 760898

IUPAC2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H15N3O2S/c15-10-9-8(2-1-3-12-10)13-11(17-9)14-4-6-16-7-5-14/h1-7H2,(H,12,15)
InChIKeyDSKQFLOZHATJLF-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.66
Rot. Bonds1

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

2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 760898) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID760898
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H15N3O2S/c15-10-9-8(2-1-3-12-10)13-11(17-9)14-4-6-16-7-5-14/h1-7H2,(H,12,15)
InChIKeyDSKQFLOZHATJLF-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (CID 760898) is 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is O=C1NCCCc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is DSKQFLOZHATJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10-9-8(2-1-3-12-10)13-11(17-9)14-4-6-16-7-5-14/h1-7H2,(H,12,15).
What are the key properties of 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 253.33 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 760898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).