(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine

C10H13N3OS — CID 88917393

IUPAC(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
SMILES[C-]#[N+]c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(11-3)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+
InChIKeyVOXCNMPXEFGSFT-OCAPTIKFSA-N
MW223.30 g/mol
LogP2.31
Rot. Bonds1

About (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine (PubChem CID 88917393) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
PubChem CID88917393
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
SMILES[C-]#[N+]c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(11-3)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+
InChIKeyVOXCNMPXEFGSFT-OCAPTIKFSA-N
XLogP2.31
TPSA29.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine (CID 88917393) is (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine is [C-]#[N+]c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine?
The InChIKey is VOXCNMPXEFGSFT-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-4-13(5-8(2)14-7)10-12-9(11-3)6-15-10/h6-8H,4-5H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine has a molecular weight of 223.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 88917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).