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

C17H19N3O2S — CID 165426572

IUPAC(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncsc1CN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C
InChIInChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-13(2)17(22)19(10-16(20)21)8-14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyZSCVDLUDLDUPRQ-CYBMUJFWSA-N
MW329.43 g/mol
LogP2.21
Rot. Bonds4

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

(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 165426572) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID165426572
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncsc1CN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C
InChIInChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-13(2)17(22)19(10-16(20)21)8-14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyZSCVDLUDLDUPRQ-CYBMUJFWSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165417477
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1-benzyl-4-[(2,6-difluoro-3-methylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423919
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (CID 165426572) is (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is Cc1ncsc1CN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is ZSCVDLUDLDUPRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-15(23-11-18-12)9-20-13(2)17(22)19(10-16(20)21)8-14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
(3R)-1-benzyl-3-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 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165426572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).