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

C20H24N4O3S — CID 46566048

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2s1
InChIInChI=1S/C20H24N4O3S/c1-3-23(19-21-14-6-4-5-7-15(14)28-19)16(25)12-24-17(26)20(22-18(24)27)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,22,27)
InChIKeyTZKYSBKRJKXESK-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.15
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46566048) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID46566048
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2s1
InChIInChI=1S/C20H24N4O3S/c1-3-23(19-21-14-6-4-5-7-15(14)28-19)16(25)12-24-17(26)20(22-18(24)27)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,22,27)
InChIKeyTZKYSBKRJKXESK-UHFFFAOYSA-N
XLogP3.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.15
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-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 46566048) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is TZKYSBKRJKXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-23(19-21-14-6-4-5-7-15(14)28-19)16(25)12-24-17(26)20(22-18(24)27)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,22,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).