3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H23N3O2S — CID 164629962

IUPAC3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCc1nc([C@H](C)N2C(=O)N(C)C3(CCCCC3)C2=O)cs1
InChIInChI=1S/C16H23N3O2S/c1-4-13-17-12(10-22-13)11(2)19-14(20)16(18(3)15(19)21)8-6-5-7-9-16/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeySSAHOJZBZGGNRM-NSHDSACASA-N
MW321.45 g/mol
LogP3.36
Rot. Bonds3

About 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 164629962) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID164629962
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCc1nc([C@H](C)N2C(=O)N(C)C3(CCCCC3)C2=O)cs1
InChIInChI=1S/C16H23N3O2S/c1-4-13-17-12(10-22-13)11(2)19-14(20)16(18(3)15(19)21)8-6-5-7-9-16/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeySSAHOJZBZGGNRM-NSHDSACASA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 164629962) is 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCc1nc([C@H](C)N2C(=O)N(C)C3(CCCCC3)C2=O)cs1.
What is the InChIKey of 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SSAHOJZBZGGNRM-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-13-17-12(10-22-13)11(2)19-14(20)16(18(3)15(19)21)8-6-5-7-9-16/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 164629962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).