N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H23ClN4O3S — CID 36782418

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C(=O)C12CCCCC2
InChIInChI=1S/C21H23ClN4O3S/c1-25-20(29)26(18(28)21(25)9-5-2-6-10-21)13-17(27)24-19-23-12-15(30-19)11-14-7-3-4-8-16(14)22/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,23,24,27)
InChIKeyWSCOEAQJKIWRPA-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.92
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 36782418) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID36782418
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C(=O)C12CCCCC2
InChIInChI=1S/C21H23ClN4O3S/c1-25-20(29)26(18(28)21(25)9-5-2-6-10-21)13-17(27)24-19-23-12-15(30-19)11-14-7-3-4-8-16(14)22/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,23,24,27)
InChIKeyWSCOEAQJKIWRPA-UHFFFAOYSA-N
XLogP3.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 36782418) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN1C(=O)N(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C(=O)C12CCCCC2.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is WSCOEAQJKIWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-25-20(29)26(18(28)21(25)9-5-2-6-10-21)13-17(27)24-19-23-12-15(30-19)11-14-7-3-4-8-16(14)22/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,23,24,27).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 446.96 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 36782418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).