(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine

C16H21N3OS — CID 141223503

IUPAC(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine
SMILESCc1nc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-10-8-19(9-11(2)20-10)14-5-6-15(17-7-14)16-12(3)21-13(4)18-16/h5-7,10-11H,8-9H2,1-4H3/t10-,11+
InChIKeyZVUCYDCONVOMMX-PHIMTYICSA-N
MW303.43 g/mol
LogP3.44
Rot. Bonds2

About (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 141223503) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine
PubChem CID141223503
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine
SMILESCc1nc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-10-8-19(9-11(2)20-10)14-5-6-15(17-7-14)16-12(3)21-13(4)18-16/h5-7,10-11H,8-9H2,1-4H3/t10-,11+
InChIKeyZVUCYDCONVOMMX-PHIMTYICSA-N
XLogP3.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine (CID 141223503) is (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine is Cc1nc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cn2)c(C)s1.
What is the InChIKey of (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is ZVUCYDCONVOMMX-PHIMTYICSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-8-19(9-11(2)20-10)14-5-6-15(17-7-14)16-12(3)21-13(4)18-16/h5-7,10-11H,8-9H2,1-4H3/t10-,11+.
What are the key properties of (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 303.43 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 141223503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).