[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C18H25N3O3S — CID 131683871

IUPAC[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C18H25N3O3S/c22-16(15-13-8-24-9-14(13)15)20-4-1-2-18(10-20)11-21(5-6-23-12-18)17-19-3-7-25-17/h3,7,13-15H,1-2,4-6,8-12H2/t13-,14+,15?,18?
InChIKeyJOUUXPRPXSRDHZ-FLOBVVSRSA-N
MW363.48 g/mol
LogP1.48
Rot. Bonds2

About [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131683871) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID131683871
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C18H25N3O3S/c22-16(15-13-8-24-9-14(13)15)20-4-1-2-18(10-20)11-21(5-6-23-12-18)17-19-3-7-25-17/h3,7,13-15H,1-2,4-6,8-12H2/t13-,14+,15?,18?
InChIKeyJOUUXPRPXSRDHZ-FLOBVVSRSA-N
XLogP1.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131683871) is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(C1[C@H]2COC[C@@H]12)N1CCCC2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is JOUUXPRPXSRDHZ-FLOBVVSRSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-16(15-13-8-24-9-14(13)15)20-4-1-2-18(10-20)11-21(5-6-23-12-18)17-19-3-7-25-17/h3,7,13-15H,1-2,4-6,8-12H2/t13-,14+,15?,18?.
What are the key properties of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 363.48 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).