2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile

C10H13N3OS — CID 67216017

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
SMILESC[C@@H]1CN(c2nc(C#N)cs2)C[C@H](C)O1
InChIInChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(3-11)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+
InChIKeyBQAUSTVBZQNNDA-OCAPTIKFSA-N
MW223.30 g/mol
LogP1.63
Rot. Bonds1

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile (PubChem CID 67216017) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
PubChem CID67216017
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
SMILESC[C@@H]1CN(c2nc(C#N)cs2)C[C@H](C)O1
InChIInChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(3-11)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+
InChIKeyBQAUSTVBZQNNDA-OCAPTIKFSA-N
XLogP1.63
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile (CID 67216017) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile is C[C@@H]1CN(c2nc(C#N)cs2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The InChIKey is BQAUSTVBZQNNDA-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(3-11)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 67216017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).