9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C13H17N3O2S — CID 64965860

IUPAC9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ncc(CN2CC(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-9-14-6-10(19-9)7-16-8-11(17)15-13(12(16)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyVNZBLDZLUXNKMH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.22
Rot. Bonds2

About 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64965860) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64965860
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ncc(CN2CC(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-9-14-6-10(19-9)7-16-8-11(17)15-13(12(16)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,15,17)
InChIKeyVNZBLDZLUXNKMH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64965764
8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965905
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018
4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878815
4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114957798
4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64971142
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106383679
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79765365
9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79697955
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106421991

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64965860) is 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ncc(CN2CC(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is VNZBLDZLUXNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-14-6-10(19-9)7-16-8-11(17)15-13(12(16)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,15,17).
What are the key properties of 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 279.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64965860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).