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

C22H26N4O3S — CID 24657656

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1
InChIInChI=1S/C22H26N4O3S/c1-14(2)15-5-7-16(8-6-15)17-13-30-20(23-17)24-18(27)9-12-26-19(28)22(25-21(26)29)10-3-4-11-22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)(H,23,24,27)
InChIKeyXTCKESDMPCAFNE-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.13
Rot. Bonds6

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 24657656) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID24657656
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1
InChIInChI=1S/C22H26N4O3S/c1-14(2)15-5-7-16(8-6-15)17-13-30-20(23-17)24-18(27)9-12-26-19(28)22(25-21(26)29)10-3-4-11-22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)(H,23,24,27)
InChIKeyXTCKESDMPCAFNE-UHFFFAOYSA-N
XLogP4.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.13
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

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
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
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
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
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55615013
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17400254
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119525936
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396712
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 24657645

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 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) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide is CC(C)c1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XTCKESDMPCAFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14(2)15-5-7-16(8-6-15)17-13-30-20(23-17)24-18(27)9-12-26-19(28)22(25-21(26)29)10-3-4-11-22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)(H,23,24,27).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 426.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24657656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).