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

C18H28N2O2S — CID 56794877

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1csc(C(C)(C)C)n1)C1C2CCOC2C1(C)C
InChIInChI=1S/C18H28N2O2S/c1-17(2,3)16-19-11(10-23-16)9-13(21)20(6)14-12-7-8-22-15(12)18(14,4)5/h10,12,14-15H,7-9H2,1-6H3
InChIKeyXQTKCEOCXKDAGB-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.26
Rot. Bonds3

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

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide (PubChem CID 56794877) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide
PubChem CID56794877
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1csc(C(C)(C)C)n1)C1C2CCOC2C1(C)C
InChIInChI=1S/C18H28N2O2S/c1-17(2,3)16-19-11(10-23-16)9-13(21)20(6)14-12-7-8-22-15(12)18(14,4)5/h10,12,14-15H,7-9H2,1-6H3
InChIKeyXQTKCEOCXKDAGB-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide (CID 56794877) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide is CN(C(=O)Cc1csc(C(C)(C)C)n1)C1C2CCOC2C1(C)C.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide?
The InChIKey is XQTKCEOCXKDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-17(2,3)16-19-11(10-23-16)9-13(21)20(6)14-12-7-8-22-15(12)18(14,4)5/h10,12,14-15H,7-9H2,1-6H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide has a molecular weight of 336.50 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide is sourced from PubChem (CID 56794877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).