3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione

C11H13N3O3S — CID 79364110

IUPAC3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
SMILESCC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyWGNRXRUPAUFATD-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.87
Rot. Bonds3

About 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione (PubChem CID 79364110) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
PubChem CID79364110
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
SMILESCC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyWGNRXRUPAUFATD-UHFFFAOYSA-N
XLogP0.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
CID 79363726
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328
1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363429
3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
CID 79401905
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402308
(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966371
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80576355
4-[(2,6-dioxopiperidin-3-yl)amino]-2-methylbut-2-enoic acid
CID 103255547
N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 146124021

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione (CID 79364110) is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione is CC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The InChIKey is WGNRXRUPAUFATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione has a molecular weight of 267.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 79364110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).