5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane

C11H17N3OS — CID 82664056

IUPAC5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
SMILESc1nc(C2CCOCCN2)n2c1CSCC2
InChIInChI=1S/C11H17N3OS/c1-4-15-5-2-12-10(1)11-13-7-9-8-16-6-3-14(9)11/h7,10,12H,1-6,8H2
InChIKeyFRDUEVKUVYZHIU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.18
Rot. Bonds1

About 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane

5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane (PubChem CID 82664056) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
PubChem CID82664056
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
SMILESc1nc(C2CCOCCN2)n2c1CSCC2
InChIInChI=1S/C11H17N3OS/c1-4-15-5-2-12-10(1)11-13-7-9-8-16-6-3-14(9)11/h7,10,12H,1-6,8H2
InChIKeyFRDUEVKUVYZHIU-UHFFFAOYSA-N
XLogP1.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane with MolForge

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Related Compounds

3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
CID 82664060
3-piperidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151359
3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 83642316
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
CID 116881072
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
5-(7-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666508
4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
CID 75485556
5-(6-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666507
5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-oxazepane
CID 82621388
4-(1,4-oxazepan-5-yl)quinolin-6-ol
CID 82664629
3-morpholin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105473853
5-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,4-oxazepane
CID 82665121

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane (CID 82664056) is 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane is c1nc(C2CCOCCN2)n2c1CSCC2.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The InChIKey is FRDUEVKUVYZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-15-5-2-12-10(1)11-13-7-9-8-16-6-3-14(9)11/h7,10,12H,1-6,8H2.
What are the key properties of 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane has a molecular weight of 239.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane is sourced from PubChem (CID 82664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).