(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C18H22N4OS — CID 97148493

IUPAC(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(c3nccs3)C2)CN1Cc1ccncc1
InChIInChI=1S/C18H22N4OS/c23-16-2-6-18(14-22(16)12-15-3-7-19-8-4-15)5-1-10-21(13-18)17-20-9-11-24-17/h3-4,7-9,11H,1-2,5-6,10,12-14H2/t18-/m0/s1
InChIKeyZTTCYZYTNYCTSP-SFHVURJKSA-N
MW342.47 g/mol
LogP2.95
Rot. Bonds3

About (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97148493) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97148493
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(c3nccs3)C2)CN1Cc1ccncc1
InChIInChI=1S/C18H22N4OS/c23-16-2-6-18(14-22(16)12-15-3-7-19-8-4-15)5-1-10-21(13-18)17-20-9-11-24-17/h3-4,7-9,11H,1-2,5-6,10,12-14H2/t18-/m0/s1
InChIKeyZTTCYZYTNYCTSP-SFHVURJKSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420
(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97121102
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70783516
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97148493) is (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(c3nccs3)C2)CN1Cc1ccncc1.
What is the InChIKey of (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZTTCYZYTNYCTSP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-16-2-6-18(14-22(16)12-15-3-7-19-8-4-15)5-1-10-21(13-18)17-20-9-11-24-17/h3-4,7-9,11H,1-2,5-6,10,12-14H2/t18-/m0/s1.
What are the key properties of (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 342.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97148493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).