[(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

C18H25N3O3S — CID 131685179

IUPAC[(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
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCC2(CC1)COCCN(c1nccs1)C2
InChIInChI=1S/C18H25N3O3S/c22-16(15-13-9-24-10-14(13)15)20-4-1-18(2-5-20)11-21(6-7-23-12-18)17-19-3-8-25-17/h3,8,13-15H,1-2,4-7,9-12H2/t13-,14+,15?
InChIKeyYTTUOOOTEZIQEA-YIONKMFJSA-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-3,11-diazaspiro[5.6]dodecan-3-yl]methanone

[(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 (PubChem CID 131685179) 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-3,11-diazaspiro[5.6]dodecan-3-yl]methanone.

Molecular Properties

Compound Name[(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
PubChem CID131685179
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-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
SMILESO=C(C1[C@H]2COC[C@@H]12)N1CCC2(CC1)COCCN(c1nccs1)C2
InChIInChI=1S/C18H25N3O3S/c22-16(15-13-9-24-10-14(13)15)20-4-1-18(2-5-20)11-21(6-7-23-12-18)17-19-3-8-25-17/h3,8,13-15H,1-2,4-7,9-12H2/t13-,14+,15?
InChIKeyYTTUOOOTEZIQEA-YIONKMFJSA-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-3,11-diazaspiro[5.6]dodecan-3-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)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684110
(3,3-Difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684215
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 131685187
2-(Tetrahydro-2-furanylmethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872887
N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373715
2-[[(2S)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124678
2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124679
1-[3-(1,3-Thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97399522
[(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
1-[11-(1,3-Thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carbonyl]cyclopropane-1-carbonitrile
CID 97502742

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-3,11-diazaspiro[5.6]dodecan-3-yl]methanone?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C(C1[C@H]2COC[C@@H]12)N1CCC2(CC1)COCCN(c1nccs1)C2.
What is the InChIKey of [(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?
The InChIKey is YTTUOOOTEZIQEA-YIONKMFJSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-16(15-13-9-24-10-14(13)15)20-4-1-18(2-5-20)11-21(6-7-23-12-18)17-19-3-8-25-17/h3,8,13-15H,1-2,4-7,9-12H2/t13-,14+,15?.
What are the key properties of [(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?
[(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 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-3,11-diazaspiro[5.6]dodecan-3-yl]methanone is sourced from PubChem (CID 131685179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).