(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C19H23N3OS — CID 124817310

IUPAC(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc(CN2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-4-3-5-7-15)19(13-22)8-9-21(2)18(19)23/h3-7,12,17H,8-11,13H2,1-2H3/t17-,19+/m1/s1
InChIKeyKUZFTXMRTQLCKY-MJGOQNOKSA-N
MW341.48 g/mol
LogP2.90
Rot. Bonds3

About (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124817310) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124817310
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc(CN2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-4-3-5-7-15)19(13-22)8-9-21(2)18(19)23/h3-7,12,17H,8-11,13H2,1-2H3/t17-,19+/m1/s1
InChIKeyKUZFTXMRTQLCKY-MJGOQNOKSA-N
XLogP2.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
(5S,9S)-2-ethyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471899
(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
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
CID 97392832
(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373386
1,4-dimethyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;tris(2,2,2-trifluoroacetic acid)
CID 118747161

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (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) is (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is Cc1nc(CN2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)cs1.
What is the InChIKey of (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is KUZFTXMRTQLCKY-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-20-16(12-24-14)10-22-11-17(15-6-4-3-5-7-15)19(13-22)8-9-21(2)18(19)23/h3-7,12,17H,8-11,13H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 341.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124817310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).