4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C13H21N3O2S — CID 106381850

IUPAC4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C2OCCC2C1(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C13H21N3O2S/c1-12(2)10-9(3-4-18-10)13(12,14)7-15-5-8-6-19-11(17)16-8/h6,9-10,15H,3-5,7,14H2,1-2H3,(H,16,17)
InChIKeyRVBHRSHGWQWSMV-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.67
Rot. Bonds4

About 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381850) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381850
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C2OCCC2C1(N)CNCc1csc(=O)[nH]1
InChIInChI=1S/C13H21N3O2S/c1-12(2)10-9(3-4-18-10)13(12,14)7-15-5-8-6-19-11(17)16-8/h6,9-10,15H,3-5,7,14H2,1-2H3,(H,16,17)
InChIKeyRVBHRSHGWQWSMV-UHFFFAOYSA-N
XLogP0.67
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380437
6-amino-7,7-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106381177
4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381773
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181302

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381850) is 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(C)C2OCCC2C1(N)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RVBHRSHGWQWSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12(2)10-9(3-4-18-10)13(12,14)7-15-5-8-6-19-11(17)16-8/h6,9-10,15H,3-5,7,14H2,1-2H3,(H,16,17).
What are the key properties of 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 283.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).