[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C17H23N3O4S — CID 131684961

IUPAC[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCOC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H23N3O4S/c21-15(14-12-7-23-8-13(12)14)19-3-5-24-17(9-19)10-20(2-4-22-11-17)16-18-1-6-25-16/h1,6,12-14H,2-5,7-11H2/t12-,13+,14?,17?
InChIKeyXZFOPNLZWWVWII-HFZWIWRYSA-N
MW365.46 g/mol
LogP0.47
Rot. Bonds2

About [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 131684961) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID131684961
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCOC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H23N3O4S/c21-15(14-12-7-23-8-13(12)14)19-3-5-24-17(9-19)10-20(2-4-22-11-17)16-18-1-6-25-16/h1,6,12-14H,2-5,7-11H2/t12-,13+,14?,17?
InChIKeyXZFOPNLZWWVWII-HFZWIWRYSA-N
XLogP0.47
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone with MolForge

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Related Compounds

(1-Fluorocyclopropyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683876
(1-Fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 131685075
N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373715
[(2R)-oxolan-2-yl]-[(6S)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494892
[(2R)-oxolan-2-yl]-[(6R)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494893
[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131645678
(3-Methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683838
[(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
(3-Hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684910
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 131685179
[(2S)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 133143024
Cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134072925

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 131684961) is [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1[C@H]2COC[C@@H]12)N1CCOC2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is XZFOPNLZWWVWII-HFZWIWRYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-15(14-12-7-23-8-13(12)14)19-3-5-24-17(9-19)10-20(2-4-22-11-17)16-18-1-6-25-16/h1,6,12-14H,2-5,7-11H2/t12-,13+,14?,17?.
What are the key properties of [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 365.46 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 131684961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).