N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

C16H24N2O3S — CID 102554671

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)C2C3CCOC3C2(C)C)c1C
InChIInChI=1S/C16H24N2O3S/c1-9-10(2)22-15(20)18(9)8-12(19)17(5)13-11-6-7-21-14(11)16(13,3)4/h11,13-14H,6-8H2,1-5H3
InChIKeySCSCJZMNUFOQNY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.80
Rot. Bonds3

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (PubChem CID 102554671) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
PubChem CID102554671
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)C2C3CCOC3C2(C)C)c1C
InChIInChI=1S/C16H24N2O3S/c1-9-10(2)22-15(20)18(9)8-12(19)17(5)13-11-6-7-21-14(11)16(13,3)4/h11,13-14H,6-8H2,1-5H3
InChIKeySCSCJZMNUFOQNY-UHFFFAOYSA-N
XLogP1.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (CID 102554671) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is Cc1sc(=O)n(CC(=O)N(C)C2C3CCOC3C2(C)C)c1C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The InChIKey is SCSCJZMNUFOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-9-10(2)22-15(20)18(9)8-12(19)17(5)13-11-6-7-21-14(11)16(13,3)4/h11,13-14H,6-8H2,1-5H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide has a molecular weight of 324.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 102554671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).