(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione

C16H17N3O2S — CID 39221421

IUPAC(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(CCc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C16H17N3O2S/c17-12-6-7-15(20)19(16(12)21)9-8-14-18-13(10-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9,17H2/t12-/m0/s1
InChIKeyVTQPDKCZBOMPIE-LBPRGKRZSA-N
MW315.40 g/mol
LogP1.83
Rot. Bonds4

About (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione

(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 39221421) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione
PubChem CID39221421
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione
SMILESN[C@H]1CCC(=O)N(CCc2nc(-c3ccccc3)cs2)C1=O
InChIInChI=1S/C16H17N3O2S/c17-12-6-7-15(20)19(16(12)21)9-8-14-18-13(10-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9,17H2/t12-/m0/s1
InChIKeyVTQPDKCZBOMPIE-LBPRGKRZSA-N
XLogP1.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
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N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
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N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
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1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
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N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
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[(2S,4S)-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
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N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-((4-phenylthiazol-2-yl)methyl)benzamide
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N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 711975

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione (CID 39221421) is (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione is N[C@H]1CCC(=O)N(CCc2nc(-c3ccccc3)cs2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is VTQPDKCZBOMPIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O2S/c17-12-6-7-15(20)19(16(12)21)9-8-14-18-13(10-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9,17H2/t12-/m0/s1.
What are the key properties of (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione?
(3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 315.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 39221421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).