2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C19H19FN4O3S — CID 24981086

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S/c1-11-15(12-4-6-13(20)7-5-12)22-17(28-11)21-14(25)10-24-16(26)19(23-18(24)27)8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,23,27)(H,21,22,25)
InChIKeyLYLAARODDIQKPI-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.06
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 24981086) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID24981086
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S/c1-11-15(12-4-6-13(20)7-5-12)22-17(28-11)21-14(25)10-24-16(26)19(23-18(24)27)8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,23,27)(H,21,22,25)
InChIKeyLYLAARODDIQKPI-UHFFFAOYSA-N
XLogP3.06
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.06
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

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 25094599
(2S)-1-N-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 44129274
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[4-methyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]pentanamide
CID 44435483
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 44435492
2-(3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 58031443
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 59481287
2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide
CID 2095288
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 2430915
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2553925
7a-methyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4826410
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)acetamide
CID 8882088

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 24981086) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LYLAARODDIQKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-11-15(12-4-6-13(20)7-5-12)22-17(28-11)21-14(25)10-24-16(26)19(23-18(24)27)8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,23,27)(H,21,22,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24981086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).