10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C13H17N3O2S — CID 64965758

IUPAC10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2nccs2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-10-3-7-16(9-11-14-6-8-19-11)12(18)13(15-10)4-1-2-5-13/h6,8H,1-5,7,9H2,(H,15,17)
InChIKeyAUDHCKCWTBFESF-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds2

About 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64965758) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64965758
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2nccs2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H17N3O2S/c17-10-3-7-16(9-11-14-6-8-19-11)12(18)13(15-10)4-1-2-5-13/h6,8H,1-5,7,9H2,(H,15,17)
InChIKeyAUDHCKCWTBFESF-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

11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64966399
10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 104812836
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
10-[(3-methyl-1,2-oxazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64968278
11-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64967825
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771
10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106377160
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64965781
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64965758) is 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(Cc2nccs2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is AUDHCKCWTBFESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-10-3-7-16(9-11-14-6-8-19-11)12(18)13(15-10)4-1-2-5-13/h6,8H,1-5,7,9H2,(H,15,17).
What are the key properties of 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-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 10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64965758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).