(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C18H23N3OS — CID 129427853

IUPAC(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C
InChIInChI=1S/C18H23N3OS/c1-18(2)15(13-7-9-22-16(13)18)21(3)10-12-11-23-17(20-12)14-6-4-5-8-19-14/h4-6,8,11,13,15-16H,7,9-10H2,1-3H3/t13-,15-,16-/m1/s1
InChIKeyLMHLJPDKPLJGFO-FVQBIDKESA-N
MW329.47 g/mol
LogP3.45
Rot. Bonds4

About (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 129427853) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID129427853
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C
InChIInChI=1S/C18H23N3OS/c1-18(2)15(13-7-9-22-16(13)18)21(3)10-12-11-23-17(20-12)14-6-4-5-8-19-14/h4-6,8,11,13,15-16H,7,9-10H2,1-3H3/t13-,15-,16-/m1/s1
InChIKeyLMHLJPDKPLJGFO-FVQBIDKESA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 129427853) is (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CN(Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C.
What is the InChIKey of (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is LMHLJPDKPLJGFO-FVQBIDKESA-N. The full InChI is InChI=1S/C18H23N3OS/c1-18(2)15(13-7-9-22-16(13)18)21(3)10-12-11-23-17(20-12)14-6-4-5-8-19-14/h4-6,8,11,13,15-16H,7,9-10H2,1-3H3/t13-,15-,16-/m1/s1.
What are the key properties of (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
(1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 329.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N,7,7-trimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 129427853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).