[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C10H14N2O2S — CID 103932997

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cscn2)C[C@H](C)O1
InChIInChI=1S/C10H14N2O2S/c1-7-3-12(4-8(2)14-7)10(13)9-5-15-6-11-9/h5-8H,3-4H2,1-2H3/t7-,8+
InChIKeyNGASLJWTGCQXNK-OCAPTIKFSA-N
MW226.30 g/mol
LogP1.39
Rot. Bonds1

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 103932997) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID103932997
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cscn2)C[C@H](C)O1
InChIInChI=1S/C10H14N2O2S/c1-7-3-12(4-8(2)14-7)10(13)9-5-15-6-11-9/h5-8H,3-4H2,1-2H3/t7-,8+
InChIKeyNGASLJWTGCQXNK-OCAPTIKFSA-N
XLogP1.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 103932997) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is C[C@@H]1CN(C(=O)c2cscn2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NGASLJWTGCQXNK-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-3-12(4-8(2)14-7)10(13)9-5-15-6-11-9/h5-8H,3-4H2,1-2H3/t7-,8+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 103932997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).