N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C16H16N4O3S — CID 8882088

IUPACN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H16N4O3S/c21-12(18-14-17-10-5-1-2-6-11(10)24-14)9-20-13(22)16(19-15(20)23)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,19,23)(H,17,18,21)
InChIKeyOCHCGDZKKFYJNF-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.10
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 8882088) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID8882088
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H16N4O3S/c21-12(18-14-17-10-5-1-2-6-11(10)24-14)9-20-13(22)16(19-15(20)23)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,19,23)(H,17,18,21)
InChIKeyOCHCGDZKKFYJNF-UHFFFAOYSA-N
XLogP2.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.10
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

Rwj-51084
CID 5289320
2-Ketobenzothiazole 23
CID 3348131
(2S)-1-[2-({3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl}amino)acetyl]pyrrolidine-2-carbonitrile
CID 11704578
[(2S,4S)-4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66559377
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-{[1-(methylamino)cyclohexyl]carbonyl}pyrrolidine-2-carboxamide
CID 23646589
3-(6-Methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 896091
3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 949083
N-(1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4783568
1-Benzothiazol-2-yl-piperidine-4-carboxylic acid cyclopropylamide
CID 24792280
N-(benzo[d]thiazol-2-yl)-2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3238257
3-[4-[1-(2-Benzothiazolyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10762097

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 8882088) is N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is OCHCGDZKKFYJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-12(18-14-17-10-5-1-2-6-11(10)24-14)9-20-13(22)16(19-15(20)23)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,19,23)(H,17,18,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 8882088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).