N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C23H28N4O3S — CID 43018410

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-22(2,3)16-8-6-15(7-9-16)17-14-31-20(24-17)25-18(28)10-13-27-19(29)23(26-21(27)30)11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyCTCWVXXNFXUECE-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.30
Rot. Bonds5

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 43018410) 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]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID43018410
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-22(2,3)16-8-6-15(7-9-16)17-14-31-20(24-17)25-18(28)10-13-27-19(29)23(26-21(27)30)11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyCTCWVXXNFXUECE-UHFFFAOYSA-N
XLogP4.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 24657656
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55396462
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 24569099
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17400254
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 55734282

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 43018410) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CC(C)(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is CTCWVXXNFXUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-22(2,3)16-8-6-15(7-9-16)17-14-31-20(24-17)25-18(28)10-13-27-19(29)23(26-21(27)30)11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,26,30)(H,24,25,28).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 440.57 g/mol, XLogP of 4.30, 5 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]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 43018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).