4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine

C14H15N3OS — CID 5376975

IUPAC4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine
SMILESC(=C(/c1ccccc1)c1ncns1)\N1CCOCC1
InChIInChI=1S/C14H15N3OS/c1-2-4-12(5-3-1)13(14-15-11-16-19-14)10-17-6-8-18-9-7-17/h1-5,10-11H,6-9H2/b13-10-
InChIKeyNKFBBAWOTBWVRW-RAXLEYEMSA-N
MW273.36 g/mol
LogP2.26
Rot. Bonds3

About 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine

4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine (PubChem CID 5376975) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine
PubChem CID5376975
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine
SMILESC(=C(/c1ccccc1)c1ncns1)\N1CCOCC1
InChIInChI=1S/C14H15N3OS/c1-2-4-12(5-3-1)13(14-15-11-16-19-14)10-17-6-8-18-9-7-17/h1-5,10-11H,6-9H2/b13-10-
InChIKeyNKFBBAWOTBWVRW-RAXLEYEMSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine?
The IUPAC name of 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine (CID 5376975) is 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine.
What is the SMILES notation for 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine?
The canonical SMILES for 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine is C(=C(/c1ccccc1)c1ncns1)\N1CCOCC1.
What is the InChIKey of 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine?
The InChIKey is NKFBBAWOTBWVRW-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-4-12(5-3-1)13(14-15-11-16-19-14)10-17-6-8-18-9-7-17/h1-5,10-11H,6-9H2/b13-10-.
What are the key properties of 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine?
4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine has a molecular weight of 273.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine is sourced from PubChem (CID 5376975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).