(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

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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).