4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C21H24N4O3S — CID 8534304

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cc2)cs1
InChIInChI=1S/C21H24N4O3S/c1-14-22-17(13-29-14)15-6-8-16(9-7-15)23-18(26)5-4-12-25-19(27)21(24-20(25)28)10-2-3-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,23,26)(H,24,28)
InChIKeyLDRGQAKBMMVHLK-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.70
Rot. Bonds6

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 8534304) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID8534304
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cc2)cs1
InChIInChI=1S/C21H24N4O3S/c1-14-22-17(13-29-14)15-6-8-16(9-7-15)23-18(26)5-4-12-25-19(27)21(24-20(25)28)10-2-3-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,23,26)(H,24,28)
InChIKeyLDRGQAKBMMVHLK-UHFFFAOYSA-N
XLogP3.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.70
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-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
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
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 18151070
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
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 9467840
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 17413483
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 24569099
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 30341383

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 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) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1nc(-c2ccc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cc2)cs1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is LDRGQAKBMMVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-22-17(13-29-14)15-6-8-16(9-7-15)23-18(26)5-4-12-25-19(27)21(24-20(25)28)10-2-3-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 412.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 8534304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).