7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C15H16N4O3S — CID 155798491

IUPAC7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCOc1cccc2sc(N3CCC4(C3)NC(=O)NC4=O)nc12
InChIInChI=1S/C15H16N4O3S/c1-2-22-9-4-3-5-10-11(9)16-14(23-10)19-7-6-15(8-19)12(20)17-13(21)18-15/h3-5H,2,6-8H2,1H3,(H2,17,18,20,21)
InChIKeyOIUSVCCECUDRRR-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.48
Rot. Bonds3

About 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 155798491) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID155798491
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCOc1cccc2sc(N3CCC4(C3)NC(=O)NC4=O)nc12
InChIInChI=1S/C15H16N4O3S/c1-2-22-9-4-3-5-10-11(9)16-14(23-10)19-7-6-15(8-19)12(20)17-13(21)18-15/h3-5H,2,6-8H2,1H3,(H2,17,18,20,21)
InChIKeyOIUSVCCECUDRRR-UHFFFAOYSA-N
XLogP1.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 172882049
8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829409
5-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997624
3-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 171690635
4,7-dichloro-2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941368
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
4-ethoxy-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081648
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
2-[4-(benzenesulfonyl)piperazin-1-yl]-4-ethoxy-1,3-benzothiazole
CID 16936927
(2,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539479

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 155798491) is 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCOc1cccc2sc(N3CCC4(C3)NC(=O)NC4=O)nc12.
What is the InChIKey of 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OIUSVCCECUDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-2-22-9-4-3-5-10-11(9)16-14(23-10)19-7-6-15(8-19)12(20)17-13(21)18-15/h3-5H,2,6-8H2,1H3,(H2,17,18,20,21).
What are the key properties of 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 332.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 155798491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).