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

C20H23N5O3S — CID 46951633

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H23N5O3S/c1-13-6-7-14(16-12-29-23-22-16)10-15(13)21-17(26)11-25-18(27)20(24(2)19(25)28)8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyJBEUGGFKZTXSRY-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.05
Rot. Bonds4

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

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide (PubChem CID 46951633) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide
PubChem CID46951633
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H23N5O3S/c1-13-6-7-14(16-12-29-23-22-16)10-15(13)21-17(26)11-25-18(27)20(24(2)19(25)28)8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,21,26)
InChIKeyJBEUGGFKZTXSRY-UHFFFAOYSA-N
XLogP3.05
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)acetamide
CID 55887302
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 30969807
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43068422
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 86925590
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681
2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 9264394
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 18129918
N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide (CID 46951633) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide is Cc1ccc(-c2csnn2)cc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide?
The InChIKey is JBEUGGFKZTXSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-13-6-7-14(16-12-29-23-22-16)10-15(13)21-17(26)11-25-18(27)20(24(2)19(25)28)8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,21,26).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 46951633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).