3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C21H24N4O3S — CID 43050602

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O3S/c26-17(22-13-16-14-29-18(23-16)15-7-3-1-4-8-15)9-12-25-19(27)21(24-20(25)28)10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,22,26)(H,24,28)
InChIKeyJHHZKVXKYOBNNR-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.07
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 43050602) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID43050602
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O3S/c26-17(22-13-16-14-29-18(23-16)15-7-3-1-4-8-15)9-12-25-19(27)21(24-20(25)28)10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,22,26)(H,24,28)
InChIKeyJHHZKVXKYOBNNR-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 32983881
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
N'-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoyl]pyridine-2-carbohydrazide
CID 29259834
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55749706

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 43050602) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is JHHZKVXKYOBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-17(22-13-16-14-29-18(23-16)15-7-3-1-4-8-15)9-12-25-19(27)21(24-20(25)28)10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,22,26)(H,24,28).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 412.52 g/mol, XLogP of 3.07, 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[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 43050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).