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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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).