3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

C16H21N3O3S — CID 71708566

IUPAC3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nccs1
InChIInChI=1S/C16H21N3O3S/c20-12(17-7-3-13-18-8-10-23-13)4-9-19-14(21)11-16(15(19)22)5-1-2-6-16/h8,10H,1-7,9,11H2,(H,17,20)
InChIKeyKBJSLQRCIUOCCV-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.51
Rot. Bonds6

About 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 71708566) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID71708566
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nccs1
InChIInChI=1S/C16H21N3O3S/c20-12(17-7-3-13-18-8-10-23-13)4-9-19-14(21)11-16(15(19)22)5-1-2-6-16/h8,10H,1-7,9,11H2,(H,17,20)
InChIKeyKBJSLQRCIUOCCV-UHFFFAOYSA-N
XLogP1.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (CID 71708566) is 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nccs1.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is KBJSLQRCIUOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-12(17-7-3-13-18-8-10-23-13)4-9-19-14(21)11-16(15(19)22)5-1-2-6-16/h8,10H,1-7,9,11H2,(H,17,20).
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 71708566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).