4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C14H23N3O2S — CID 106381773

IUPAC4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C2OCCCC2C1(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3O2S/c1-13(2)11-10(4-3-5-19-11)14(13,15)8-16-6-9-7-20-12(18)17-9/h7,10-11,16H,3-6,8,15H2,1-2H3,(H,17,18)
InChIKeyGCHAXMUCJOKZFJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.06
Rot. Bonds4

About 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381773) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381773
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C2OCCCC2C1(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3O2S/c1-13(2)11-10(4-3-5-19-11)14(13,15)8-16-6-9-7-20-12(18)17-9/h7,10-11,16H,3-6,8,15H2,1-2H3,(H,17,18)
InChIKeyGCHAXMUCJOKZFJ-UHFFFAOYSA-N
XLogP1.06
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379615
4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379702
7-amino-8,8-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106381309
4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381850
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911

Frequently Asked Questions

What is the IUPAC name of 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381773) is 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(C)C2OCCCC2C1(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GCHAXMUCJOKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-13(2)11-10(4-3-5-19-11)14(13,15)8-16-6-9-7-20-12(18)17-9/h7,10-11,16H,3-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 297.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).