3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

C17H26N4O2S — CID 56753419

IUPAC3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NCCCN2C
InChIInChI=1S/C17H26N4O2S/c1-4-13-14(24-12(2)19-13)15(22)21-10-6-17(7-11-21)16(23)18-8-5-9-20(17)3/h4-11H2,1-3H3,(H,18,23)
InChIKeyVAIIIRUMMYVXCC-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.44
Rot. Bonds2

About 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 56753419) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID56753419
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NCCCN2C
InChIInChI=1S/C17H26N4O2S/c1-4-13-14(24-12(2)19-13)15(22)21-10-6-17(7-11-21)16(23)18-8-5-9-20(17)3/h4-11H2,1-3H3,(H,18,23)
InChIKeyVAIIIRUMMYVXCC-UHFFFAOYSA-N
XLogP1.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 77090670
3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839296
[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 133121944
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56738764
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70712734
7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 119071322
ethyl (2S)-2-[(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carbonyl)amino]propanoate
CID 95219186
7-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 77081164
3-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 77078755
3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56746464

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 56753419) is 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is CCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NCCCN2C.
What is the InChIKey of 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is VAIIIRUMMYVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-4-13-14(24-12(2)19-13)15(22)21-10-6-17(7-11-21)16(23)18-8-5-9-20(17)3/h4-11H2,1-3H3,(H,18,23).
What are the key properties of 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 350.49 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 56753419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).