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

C13H17N3O2S — CID 64965909

IUPAC4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2nccs2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-10-8-16(9-11-14-6-7-19-11)12(18)13(15-10)4-2-1-3-5-13/h6-7H,1-5,8-9H2,(H,15,17)
InChIKeyNBIAVMWLPJNRDL-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds2

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

4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64965909) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64965909
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2nccs2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-10-8-16(9-11-14-6-7-19-11)12(18)13(15-10)4-2-1-3-5-13/h6-7H,1-5,8-9H2,(H,15,17)
InChIKeyNBIAVMWLPJNRDL-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64965909) is 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(Cc2nccs2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is NBIAVMWLPJNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-10-8-16(9-11-14-6-7-19-11)12(18)13(15-10)4-2-1-3-5-13/h6-7H,1-5,8-9H2,(H,15,17).
What are the key properties of 4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(1,3-thiazol-2-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-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64965909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).