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

C19H22N4O3S — CID 31509146

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1
InChIInChI=1S/C19H22N4O3S/c1-11-8-12(2)15-13(9-11)27-17(21-15)20-14(24)10-23-16(25)19(22-18(23)26)6-4-3-5-7-19/h8-9H,3-7,10H2,1-2H3,(H,22,26)(H,20,21,24)
InChIKeyPMTUWMMBUZRTSP-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.11
Rot. Bonds3

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 31509146) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID31509146
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1
InChIInChI=1S/C19H22N4O3S/c1-11-8-12(2)15-13(9-11)27-17(21-15)20-14(24)10-23-16(25)19(22-18(23)26)6-4-3-5-7-19/h8-9H,3-7,10H2,1-2H3,(H,22,26)(H,20,21,24)
InChIKeyPMTUWMMBUZRTSP-UHFFFAOYSA-N
XLogP3.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 18128657
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 33039276
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4858996
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2435183
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
CID 2552481
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 47004586
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 31509146) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(C)c2nc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PMTUWMMBUZRTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11-8-12(2)15-13(9-11)27-17(21-15)20-14(24)10-23-16(25)19(22-18(23)26)6-4-3-5-7-19/h8-9H,3-7,10H2,1-2H3,(H,22,26)(H,20,21,24).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 31509146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).