6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H21N3O2S — CID 114946165

IUPAC6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1nccs1
InChIInChI=1S/C14H21N3O2S/c1-8(11-16-5-7-20-11)17-12(18)14(15)9-4-6-19-10(9)13(14,2)3/h5,7-10H,4,6,15H2,1-3H3,(H,17,18)
InChIKeyOYEGFSYXGATNSZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.46
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946165) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946165
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1nccs1
InChIInChI=1S/C14H21N3O2S/c1-8(11-16-5-7-20-11)17-12(18)14(15)9-4-6-19-10(9)13(14,2)3/h5,7-10H,4,6,15H2,1-3H3,(H,17,18)
InChIKeyOYEGFSYXGATNSZ-UHFFFAOYSA-N
XLogP1.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945373
6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945357
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829358
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946905
7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864698
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 63903829
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
7-amino-N-(3-hydroxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946216

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946165) is 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(NC(=O)C1(N)C2CCOC2C1(C)C)c1nccs1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is OYEGFSYXGATNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8(11-16-5-7-20-11)17-12(18)14(15)9-4-6-19-10(9)13(14,2)3/h5,7-10H,4,6,15H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).