4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H17N3O2S — CID 64971142

IUPAC4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2cscn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-11-7-16(6-10-8-19-9-14-10)12(18)13(15-11)4-2-1-3-5-13/h8-9H,1-7H2,(H,15,17)
InChIKeyVFESADYTRIEQDA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds2

About 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64971142) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64971142
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2cscn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-11-7-16(6-10-8-19-9-14-10)12(18)13(15-11)4-2-1-3-5-13/h8-9H,1-7H2,(H,15,17)
InChIKeyVFESADYTRIEQDA-UHFFFAOYSA-N
XLogP1.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878815
9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106383679
9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965860
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018
4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114957798
11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79697955
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64971142) is 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(Cc2cscn2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is VFESADYTRIEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-11-7-16(6-10-8-19-9-14-10)12(18)13(15-11)4-2-1-3-5-13/h8-9H,1-7H2,(H,15,17).
What are the key properties of 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 279.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).