3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C13H17N3O2S — CID 75447188

IUPAC3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-9-14-8-10(19-9)4-7-16-11(17)13(15-12(16)18)5-2-3-6-13/h8H,2-7H2,1H3,(H,15,18)
InChIKeyZUMIXMSBZJIUDO-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.86
Rot. Bonds3

About 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 75447188) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID75447188
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-9-14-8-10(19-9)4-7-16-11(17)13(15-12(16)18)5-2-3-6-13/h8H,2-7H2,1H3,(H,15,18)
InChIKeyZUMIXMSBZJIUDO-UHFFFAOYSA-N
XLogP1.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclopropylmethyl)-2-(1,3-thiazol-5-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 118740641
3-[(2-Methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 53523190
(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 86783096
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17472405
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 18284579
8-Methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47073030
3-[(2-Methyl-1,3-thiazol-5-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione
CID 53530898
3-[2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71868957
N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide
CID 71869895
(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71918430
3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 71982707
3-[2-[(2-Ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71999987

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 75447188) is 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is Cc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZUMIXMSBZJIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-14-8-10(19-9)4-7-16-11(17)13(15-12(16)18)5-2-3-6-13/h8H,2-7H2,1H3,(H,15,18).
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 279.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 75447188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).