N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H21FN4O3S — CID 2576378

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O
InChIInChI=1S/C20H21FN4O3S/c1-12-6-8-20(9-7-12)17(27)25(19(28)24-20)10-16(26)23-18-22-15(11-29-18)13-2-4-14(21)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyITGTUCBQKSSZOH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2576378) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2576378
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O
InChIInChI=1S/C20H21FN4O3S/c1-12-6-8-20(9-7-12)17(27)25(19(28)24-20)10-16(26)23-18-22-15(11-29-18)13-2-4-14(21)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyITGTUCBQKSSZOH-UHFFFAOYSA-N
XLogP3.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2576378) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ITGTUCBQKSSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-12-6-8-20(9-7-12)17(27)25(19(28)24-20)10-16(26)23-18-22-15(11-29-18)13-2-4-14(21)5-3-13/h2-5,11-12H,6-10H2,1H3,(H,24,28)(H,22,23,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2576378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).