8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C15H20N2O4S — CID 72903863

IUPAC8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)COC(=O)O2
InChIInChI=1S/C15H20N2O4S/c1-9(2)12-16-10(3)11(22-12)13(18)17-6-4-15(5-7-17)8-20-14(19)21-15/h9H,4-8H2,1-3H3
InChIKeyUQXWCHNRVGTRKW-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.72
Rot. Bonds2

About 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 72903863) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID72903863
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)COC(=O)O2
InChIInChI=1S/C15H20N2O4S/c1-9(2)12-16-10(3)11(22-12)13(18)17-6-4-15(5-7-17)8-20-14(19)21-15/h9H,4-8H2,1-3H3
InChIKeyUQXWCHNRVGTRKW-UHFFFAOYSA-N
XLogP2.72
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172664420
[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72842525
8-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118772035
8-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126432825
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55691388
(4aS,8aS)-1-methyl-7-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135112905
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72917432
methyl (2S)-2-hydroxy-2-[1-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetate
CID 97002664
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97146396
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 95223344
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CID 154891717

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 72903863) is 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)COC(=O)O2.
What is the InChIKey of 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is UQXWCHNRVGTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-9(2)12-16-10(3)11(22-12)13(18)17-6-4-15(5-7-17)8-20-14(19)21-15/h9H,4-8H2,1-3H3.
What are the key properties of 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 324.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 72903863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).