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

C21H23FN4O3S — CID 55785481

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C21H23FN4O3S/c1-14-23-16(13-30-14)12-26(17-6-4-15(22)5-7-17)18(27)8-11-25-19(28)21(24-20(25)29)9-2-3-10-21/h4-7,13H,2-3,8-12H2,1H3,(H,24,29)
InChIKeyDLUMLZHQVFYZAT-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.38
Rot. Bonds6

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 55785481) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID55785481
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C21H23FN4O3S/c1-14-23-16(13-30-14)12-26(17-6-4-15(22)5-7-17)18(27)8-11-25-19(28)21(24-20(25)29)9-2-3-10-21/h4-7,13H,2-3,8-12H2,1H3,(H,24,29)
InChIKeyDLUMLZHQVFYZAT-UHFFFAOYSA-N
XLogP3.38
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55732537
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 55732535
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 55732936
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 55506228
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 55732752
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 55785481) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DLUMLZHQVFYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-14-23-16(13-30-14)12-26(17-6-4-15(22)5-7-17)18(27)8-11-25-19(28)21(24-20(25)29)9-2-3-10-21/h4-7,13H,2-3,8-12H2,1H3,(H,24,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 430.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 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-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 55785481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).