N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H28N4O3S — CID 2553925

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-22(2,3)16-9-7-15(8-10-16)17-14-31-20(24-17)25-18(28)13-27-19(29)23(26-21(27)30)11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyUXLZZMGREYMGRX-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.30
Rot. Bonds4

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2553925) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2553925
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-22(2,3)16-9-7-15(8-10-16)17-14-31-20(24-17)25-18(28)13-27-19(29)23(26-21(27)30)11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyUXLZZMGREYMGRX-UHFFFAOYSA-N
XLogP4.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2553925) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)(C)c1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UXLZZMGREYMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-22(2,3)16-9-7-15(8-10-16)17-14-31-20(24-17)25-18(28)13-27-19(29)23(26-21(27)30)11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,26,30)(H,24,25,28).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2553925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).