methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate

C11H13N3O4S — CID 80576355

IUPACmethyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H13N3O4S/c1-18-9(16)4-6-5-19-11(12-6)13-7-2-3-8(15)14-10(7)17/h5,7H,2-4H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyDAEFROLQZPGPIG-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.08
Rot. Bonds4

About methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576355) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80576355
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H13N3O4S/c1-18-9(16)4-6-5-19-11(12-6)13-7-2-3-8(15)14-10(7)17/h5,7H,2-4H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyDAEFROLQZPGPIG-UHFFFAOYSA-N
XLogP0.08
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575431
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
methyl 3-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040484
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
CID 167431037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate (CID 80576355) is methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DAEFROLQZPGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-18-9(16)4-6-5-19-11(12-6)13-7-2-3-8(15)14-10(7)17/h5,7H,2-4H2,1H3,(H,12,13)(H,14,15,17).
What are the key properties of methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 283.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).