2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide

C13H17N3O3S — CID 167377021

IUPAC2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)12-14-6-8(20-12)11(19)15-7-4-5-9(17)16-10(7)18/h6-7H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyNKZYRUKMCHOGHP-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.98
Rot. Bonds2

About 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 167377021) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID167377021
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)12-14-6-8(20-12)11(19)15-7-4-5-9(17)16-10(7)18/h6-7H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyNKZYRUKMCHOGHP-UHFFFAOYSA-N
XLogP0.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide (CID 167377021) is 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NC2CCC(=O)NC2=O)s1.
What is the InChIKey of 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NKZYRUKMCHOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,3)12-14-6-8(20-12)11(19)15-7-4-5-9(17)16-10(7)18/h6-7H,4-5H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167377021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).