7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

C15H23N3O2S — CID 114945769

About 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114945769) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

• Compound Name: 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
• PubChem CID: 114945769
• Molecular Formula: C15H23N3O2S
• Molecular Weight: 309.44 g/mol
• Exact Mass: 309.15
• IUPAC Name: 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
• SMILES: Cc1ncc(CNC(=O)C2(N)C3CCCOC3C2(C)C)s1
• InChI: InChI=1S/C15H23N3O2S/c1-9-17-7-10(21-9)8-18-13(19)15(16)11-5-4-6-20-12(11)14(15,2)3/h7,11-12H,4-6,8,16H2,1-3H3,(H,18,19)
• InChIKey: QZSLGXQWJZAPGT-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.44
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?

The IUPAC name of 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114945769) is 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide.

What is the SMILES notation for 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?

The canonical SMILES for 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is Cc1ncc(CNC(=O)C2(N)C3CCCOC3C2(C)C)s1.

What is the InChIKey of 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?

The InChIKey is QZSLGXQWJZAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-17-7-10(21-9)8-18-13(19)15(16)11-5-4-6-20-12(11)14(15,2)3/h7,11-12H,4-6,8,16H2,1-3H3,(H,18,19).

What are the key properties of 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide?

7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114945769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).