2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C18H20N4O3S — CID 24981023

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1
InChIInChI=1S/C18H20N4O3S/c1-11-5-6-12-13(9-11)26-16(19-12)20-14(23)10-22-15(24)18(21-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25)(H,19,20,23)
InChIKeyQRQLQBRBHZWURO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.80
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 24981023) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID24981023
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1
InChIInChI=1S/C18H20N4O3S/c1-11-5-6-12-13(9-11)26-16(19-12)20-14(23)10-22-15(24)18(21-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25)(H,19,20,23)
InChIKeyQRQLQBRBHZWURO-UHFFFAOYSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.80
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 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 24981023) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QRQLQBRBHZWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-5-6-12-13(9-11)26-16(19-12)20-14(23)10-22-15(24)18(21-17(22)25)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25)(H,19,20,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.80, 3 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[4.5]decan-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 24981023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).