4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine

C10H11FN2OS — CID 143305266

IUPAC4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESFC#Cc1ncc(CN2CCOCC2)s1
InChIInChI=1S/C10H11FN2OS/c11-2-1-10-12-7-9(15-10)8-13-3-5-14-6-4-13/h7H,3-6,8H2
InChIKeySKAYLNRDNQRFFC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.25
Rot. Bonds2

About 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine

4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 143305266) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID143305266
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESFC#Cc1ncc(CN2CCOCC2)s1
InChIInChI=1S/C10H11FN2OS/c11-2-1-10-12-7-9(15-10)8-13-3-5-14-6-4-13/h7H,3-6,8H2
InChIKeySKAYLNRDNQRFFC-UHFFFAOYSA-N
XLogP1.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine (CID 143305266) is 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine is FC#Cc1ncc(CN2CCOCC2)s1.
What is the InChIKey of 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is SKAYLNRDNQRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-2-1-10-12-7-9(15-10)8-13-3-5-14-6-4-13/h7H,3-6,8H2.
What are the key properties of 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine?
4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 226.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 143305266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).