2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione

C20H23N3O3S — CID 24608500

IUPAC2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1nccs1
InChIInChI=1S/C20H23N3O3S/c1-13-10-15(14(2)23(13)19-21-8-9-27-19)16(24)12-22-17(25)11-20(18(22)26)6-4-3-5-7-20/h8-10H,3-7,11-12H2,1-2H3
InChIKeyMZXDQUMOCWNBIZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24608500) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24608500
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1nccs1
InChIInChI=1S/C20H23N3O3S/c1-13-10-15(14(2)23(13)19-21-8-9-27-19)16(24)12-22-17(25)11-20(18(22)26)6-4-3-5-7-20/h8-10H,3-7,11-12H2,1-2H3
InChIKeyMZXDQUMOCWNBIZ-UHFFFAOYSA-N
XLogP3.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 24608500) is 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione is Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1nccs1.
What is the InChIKey of 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is MZXDQUMOCWNBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-10-15(14(2)23(13)19-21-8-9-27-19)16(24)12-22-17(25)11-20(18(22)26)6-4-3-5-7-20/h8-10H,3-7,11-12H2,1-2H3.
What are the key properties of 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 385.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24608500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).