(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one

C13H15N5OS — CID 146046249

IUPAC(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one
SMILESNc1nnc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C13H15N5OS/c14-12-16-17-13(20-12)18-7-10(15-11(19)8-18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)/t10-/m0/s1
InChIKeyOLBDABIYUYUNID-JTQLQIEISA-N
MW289.36 g/mol
LogP0.67
Rot. Bonds3

About (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one

(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one (PubChem CID 146046249) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one
PubChem CID146046249
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one
SMILESNc1nnc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C13H15N5OS/c14-12-16-17-13(20-12)18-7-10(15-11(19)8-18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)/t10-/m0/s1
InChIKeyOLBDABIYUYUNID-JTQLQIEISA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one
CID 137335144
2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59481304
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73213190
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(6S)-4-[(Z)-[(2R)-2-aminocyclohexylidene]methyl]-6-benzylpiperazin-2-one
CID 89191953
6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 137340358
(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 137342622
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 137335175
methyl (2S)-2-[(3R)-3-benzyl-5-oxopiperazin-1-yl]hexanoate
CID 57025518
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165
5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040653
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one?
The IUPAC name of (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one (CID 146046249) is (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one.
What is the SMILES notation for (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one?
The canonical SMILES for (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one is Nc1nnc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)s1.
What is the InChIKey of (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one?
The InChIKey is OLBDABIYUYUNID-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N5OS/c14-12-16-17-13(20-12)18-7-10(15-11(19)8-18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)/t10-/m0/s1.
What are the key properties of (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one?
(6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one has a molecular weight of 289.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-6-benzylpiperazin-2-one is sourced from PubChem (CID 146046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).