N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C24H27N5O3S — CID 40919648

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-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)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O
InChIInChI=1S/C24H27N5O3S/c1-15-10-23(2,3)14-24(11-15)20(31)29(21(32)27-24)13-19(30)25-17-6-4-16(5-7-17)18-12-28-8-9-33-22(28)26-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,30)(H,27,32)/t15-,24-/m1/s1
InChIKeyLBUKFGTWQMUSOJ-OYLFLEFRSA-N
MW465.58 g/mol
LogP4.14
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 40919648) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID40919648
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-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)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O
InChIInChI=1S/C24H27N5O3S/c1-15-10-23(2,3)14-24(11-15)20(31)29(21(32)27-24)13-19(30)25-17-6-4-16(5-7-17)18-12-28-8-9-33-22(28)26-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,30)(H,27,32)/t15-,24-/m1/s1
InChIKeyLBUKFGTWQMUSOJ-OYLFLEFRSA-N
XLogP4.14
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-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-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-(1,3-thiazol-2-yl)-4-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55602032
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24599453
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
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-[4-(difluoromethylsulfonyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40856240
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-(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-(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

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 40919648) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-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)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is LBUKFGTWQMUSOJ-OYLFLEFRSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-15-10-23(2,3)14-24(11-15)20(31)29(21(32)27-24)13-19(30)25-17-6-4-16(5-7-17)18-12-28-8-9-33-22(28)26-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,30)(H,27,32)/t15-,24-/m1/s1.
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 465.58 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 40919648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).