7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C13H20N2OS — CID 64864698

IUPAC7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(NC1C2CCOC2C1(C)C)c1nccs1
InChIInChI=1S/C13H20N2OS/c1-8(12-14-5-7-17-12)15-10-9-4-6-16-11(9)13(10,2)3/h5,7-11,15H,4,6H2,1-3H3
InChIKeyZMVUUGMFZHNYPD-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.61
Rot. Bonds3

About 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64864698) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64864698
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC(NC1C2CCOC2C1(C)C)c1nccs1
InChIInChI=1S/C13H20N2OS/c1-8(12-14-5-7-17-12)15-10-9-4-6-16-11(9)13(10,2)3/h5,7-11,15H,4,6H2,1-3H3
InChIKeyZMVUUGMFZHNYPD-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64864698) is 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC(NC1C2CCOC2C1(C)C)c1nccs1.
What is the InChIKey of 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is ZMVUUGMFZHNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8(12-14-5-7-17-12)15-10-9-4-6-16-11(9)13(10,2)3/h5,7-11,15H,4,6H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 252.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64864698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).