N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H25N5O3S — CID 166325318

IUPACN-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3C(=O)NC4(CC(C)CC(C)(C)C4)C3=O)sc2n1
InChIInChI=1S/C20H25N5O3S/c1-11-7-19(3,4)10-20(8-11)16(27)25(18(28)24-20)9-14(26)23-17-22-13-6-5-12(2)21-15(13)29-17/h5-6,11H,7-10H2,1-4H3,(H,24,28)(H,22,23,26)
InChIKeyMOQYJVXSPOSBQU-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.08
Rot. Bonds3

About N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 166325318) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID166325318
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3C(=O)NC4(CC(C)CC(C)(C)C4)C3=O)sc2n1
InChIInChI=1S/C20H25N5O3S/c1-11-7-19(3,4)10-20(8-11)16(27)25(18(28)24-20)9-14(26)23-17-22-13-6-5-12(2)21-15(13)29-17/h5-6,11H,7-10H2,1-4H3,(H,24,28)(H,22,23,26)
InChIKeyMOQYJVXSPOSBQU-UHFFFAOYSA-N
XLogP3.08
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8882136
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7915218
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7718641
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41000992
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 112787596
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983
N-(1H-indazol-7-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46542702
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55354811
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43040722

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 166325318) is N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1ccc2nc(NC(=O)CN3C(=O)NC4(CC(C)CC(C)(C)C4)C3=O)sc2n1.
What is the InChIKey of N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is MOQYJVXSPOSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-11-7-19(3,4)10-20(8-11)16(27)25(18(28)24-20)9-14(26)23-17-22-13-6-5-12(2)21-15(13)29-17/h5-6,11H,7-10H2,1-4H3,(H,24,28)(H,22,23,26).
What are the key properties of N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 166325318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).