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

C15H21N3O2S — CID 64965781

IUPAC3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1C(=O)NC2(CCCCC2)C(=O)N1Cc1nccs1
InChIInChI=1S/C15H21N3O2S/c1-2-11-13(19)17-15(6-4-3-5-7-15)14(20)18(11)10-12-16-8-9-21-12/h8-9,11H,2-7,10H2,1H3,(H,17,19)
InChIKeyGXGZDKSMHNHCKR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.08
Rot. Bonds3

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

3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64965781) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64965781
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1C(=O)NC2(CCCCC2)C(=O)N1Cc1nccs1
InChIInChI=1S/C15H21N3O2S/c1-2-11-13(19)17-15(6-4-3-5-7-15)14(20)18(11)10-12-16-8-9-21-12/h8-9,11H,2-7,10H2,1H3,(H,17,19)
InChIKeyGXGZDKSMHNHCKR-UHFFFAOYSA-N
XLogP2.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
8-ethyl-9-[(5-methyl-1,3-oxazol-2-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106377071
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885696
11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
4-(1,3-thiazol-2-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947293
8-ethyl-9-(2-methylprop-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114619330
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885889
8-ethyl-9-[2-(furan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64964670
8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 115327199

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64965781) is 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1C(=O)NC2(CCCCC2)C(=O)N1Cc1nccs1.
What is the InChIKey of 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GXGZDKSMHNHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-11-13(19)17-15(6-4-3-5-7-15)14(20)18(11)10-12-16-8-9-21-12/h8-9,11H,2-7,10H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 307.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,3-thiazol-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64965781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).