(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione

C17H19N3O2S — CID 165417477

IUPAC(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncsc1CN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-14(8-13-6-4-3-5-7-13)17(22)19(2)10-16(20)21/h3-7,11,14H,8-10H2,1-2H3/t14-/m1/s1
InChIKeyFQOZVCZIZXUXJY-CQSZACIVSA-N
MW329.43 g/mol
LogP1.86
Rot. Bonds4

About (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione

(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 165417477) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID165417477
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncsc1CN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-14(8-13-6-4-3-5-7-13)17(22)19(2)10-16(20)21/h3-7,11,14H,8-10H2,1-2H3/t14-/m1/s1
InChIKeyFQOZVCZIZXUXJY-CQSZACIVSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165426572
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3S)-3-benzyl-4-[(3-methoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165422175
(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
CID 164690480
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
CID 165419607
(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395
(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
CID 165420025
(5S)-5-benzyl-3-cyclopropyl-7-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318436
(5R)-5-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163309048
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 164693913

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (CID 165417477) is (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is Cc1ncsc1CN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is FQOZVCZIZXUXJY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-14(8-13-6-4-3-5-7-13)17(22)19(2)10-16(20)21/h3-7,11,14H,8-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 329.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165417477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).