3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane

C11H17N3OS — CID 82664060

IUPAC3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
SMILESc1nc2n(c1C1COCCCN1)CCSC2
InChIInChI=1S/C11H17N3OS/c1-2-12-9(7-15-4-1)10-6-13-11-8-16-5-3-14(10)11/h6,9,12H,1-5,7-8H2
InChIKeyCOFQZSBCWKQIAR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.18
Rot. Bonds1

About 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane

3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane (PubChem CID 82664060) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
PubChem CID82664060
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
SMILESc1nc2n(c1C1COCCCN1)CCSC2
InChIInChI=1S/C11H17N3OS/c1-2-12-9(7-15-4-1)10-6-13-11-8-16-5-3-14(10)11/h6,9,12H,1-5,7-8H2
InChIKeyCOFQZSBCWKQIAR-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 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane with MolForge

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Related Compounds

5-(6,8-dihydro-5H-imidazo[5,1-c][1,4]thiazin-3-yl)-1,4-oxazepane
CID 82664056
3-(1,4-dimethylindol-2-yl)-1,4-oxazepane
CID 82664754
3-(1,3-thiazol-5-yl)morpholine
CID 82598222
3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-oxazepane
CID 82621367
3-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664305
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
3-(5-bromo-1-methylpyrazol-4-yl)morpholine
CID 84803089
3-(2-chlorophenyl)-1,4-oxazepane
CID 131296603
(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
CID 130647727
(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
CID 131118655
3-(5-bromo-1,3-thiazol-2-yl)morpholine
CID 83693202
N,N-dimethyl-5-morpholin-3-ylpyridin-2-amine
CID 130021696

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane (CID 82664060) is 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane is c1nc2n(c1C1COCCCN1)CCSC2.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
The InChIKey is COFQZSBCWKQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-12-9(7-15-4-1)10-6-13-11-8-16-5-3-14(10)11/h6,9,12H,1-5,7-8H2.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane?
3-(6,8-dihydro-5H-imidazo[2,1-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 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)-1,4-oxazepane is sourced from PubChem (CID 82664060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).