6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H21N3O2S — CID 114946091

IUPAC6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NCCc1cscn1
InChIInChI=1S/C14H21N3O2S/c1-13(2)11-10(4-6-19-11)14(13,15)12(18)16-5-3-9-7-20-8-17-9/h7-8,10-11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyIOWNYDPDKJWJKO-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.94
Rot. Bonds4

About 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946091) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946091
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NCCc1cscn1
InChIInChI=1S/C14H21N3O2S/c1-13(2)11-10(4-6-19-11)14(13,15)12(18)16-5-3-9-7-20-8-17-9/h7-8,10-11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyIOWNYDPDKJWJKO-UHFFFAOYSA-N
XLogP0.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945819
7-amino-8,8-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106397626
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
ethyl 3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoate
CID 114945907
6-amino-7,7-dimethyl-N-[2-(methylsulfamoyl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106336925
6-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]hexanoic acid
CID 114945669
6-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946237
N-(2-acetamidoethyl)-7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945398
7-amino-8,8-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946384
1-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 77020373
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945983
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946091) is 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)NCCc1cscn1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is IOWNYDPDKJWJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-13(2)11-10(4-6-19-11)14(13,15)12(18)16-5-3-9-7-20-8-17-9/h7-8,10-11H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.94, 4 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-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).