N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C21H26N4O3S — CID 7942674

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1\sc3ccccc3n1C)C2=O
InChIInChI=1S/C21H26N4O3S/c1-13-9-20(2,3)12-21(10-13)17(27)25(18(28)23-21)11-16(26)22-19-24(4)14-7-5-6-8-15(14)29-19/h5-8,13H,9-12H2,1-4H3,(H,23,28)/b22-19-/t13-,21+/m0/s1
InChIKeySAYDOVGLEGTGAJ-AMPFDMQZSA-N
MW414.53 g/mol
LogP2.80
Rot. Bonds2

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7942674) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID7942674
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1\sc3ccccc3n1C)C2=O
InChIInChI=1S/C21H26N4O3S/c1-13-9-20(2,3)12-21(10-13)17(27)25(18(28)23-21)11-16(26)22-19-24(4)14-7-5-6-8-15(14)29-19/h5-8,13H,9-12H2,1-4H3,(H,23,28)/b22-19-/t13-,21+/m0/s1
InChIKeySAYDOVGLEGTGAJ-AMPFDMQZSA-N
XLogP2.80
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-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-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8696373
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
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
N-phenyl-N-prop-2-enyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51215239
N-(2-methyl-2-phenylpropyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55612692
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
N-(2-phenylbutyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46448013
(5R,9S)-7,7,9-trimethyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2525417
N-(furan-2-ylmethyl)-N-phenyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55443414
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 7942674) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1\sc3ccccc3n1C)C2=O.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is SAYDOVGLEGTGAJ-AMPFDMQZSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-13-9-20(2,3)12-21(10-13)17(27)25(18(28)23-21)11-16(26)22-19-24(4)14-7-5-6-8-15(14)29-19/h5-8,13H,9-12H2,1-4H3,(H,23,28)/b22-19-/t13-,21+/m0/s1.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7942674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).