[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C17H25N3O3S — CID 131645678

IUPAC[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17?/m1/s1
InChIKeyHSMQQDCVYDJSMU-XPCCGILXSA-N
MW351.47 g/mol
LogP1.77
Rot. Bonds2

About [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131645678) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID131645678
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17?/m1/s1
InChIKeyHSMQQDCVYDJSMU-XPCCGILXSA-N
XLogP1.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
(2-oxo-2-pyrrolidin-1-ylethyl) (3S)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 97204184
(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
Oxolan-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53502327
2-(Tetrahydro-2-furanylmethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872887
(2-Oxo-2-pyrrolidin-1-ylethyl) 1-(1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 75369917
N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373715
N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 75373717
[5-(Aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80006356

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131645678) is [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCCC2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is HSMQQDCVYDJSMU-XPCCGILXSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-15(14-3-1-8-23-14)19-6-2-4-17(11-19)12-20(7-9-22-13-17)16-18-5-10-24-16/h5,10,14H,1-4,6-9,11-13H2/t14-,17?/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
[(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).