(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

C19H23N3OS — CID 110131026

IUPAC(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1nc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-3-2-4-7-15)19(13-22)9-5-8-18(23)21-19/h2-4,6-7,12,17H,5,8-11,13H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyUESFEOCRBBQQLA-PKOBYXMFSA-N
MW341.48 g/mol
LogP3.09
Rot. Bonds3

About (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110131026) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110131026
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1nc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-3-2-4-7-15)19(13-22)9-5-8-18(23)21-19/h2-4,6-7,12,17H,5,8-11,13H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyUESFEOCRBBQQLA-PKOBYXMFSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310
(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92606807
(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
CID 92574940
(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one
CID 92575491
(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92611453
(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92583127
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
CID 110129742
N-[4-[(4R,5S)-2-[(2-fluorophenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
CID 92550680
(3aR,6aR)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124805064
(4R,5S)-4-pyridin-3-yl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92572962

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (CID 110131026) is (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is Cc1nc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cs1.
What is the InChIKey of (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is UESFEOCRBBQQLA-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-3-2-4-7-15)19(13-22)9-5-8-18(23)21-19/h2-4,6-7,12,17H,5,8-11,13H2,1H3,(H,21,23)/t17-,19+/m0/s1.
What are the key properties of (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 341.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110131026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).