2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

C19H20N2OS — CID 45237236

IUPAC2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1ccc2c(CC3CN(Cc4nccs4)CCO3)cccc2c1
InChIInChI=1S/C19H20N2OS/c1-2-7-18-15(4-1)5-3-6-16(18)12-17-13-21(9-10-22-17)14-19-20-8-11-23-19/h1-8,11,17H,9-10,12-14H2
InChIKeyXDOOJUHKOVKTKH-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.74
Rot. Bonds4

About 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (PubChem CID 45237236) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
PubChem CID45237236
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1ccc2c(CC3CN(Cc4nccs4)CCO3)cccc2c1
InChIInChI=1S/C19H20N2OS/c1-2-7-18-15(4-1)5-3-6-16(18)12-17-13-21(9-10-22-17)14-19-20-8-11-23-19/h1-8,11,17H,9-10,12-14H2
InChIKeyXDOOJUHKOVKTKH-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (CID 45237236) is 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is c1ccc2c(CC3CN(Cc4nccs4)CCO3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The InChIKey is XDOOJUHKOVKTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-7-18-15(4-1)5-3-6-16(18)12-17-13-21(9-10-22-17)14-19-20-8-11-23-19/h1-8,11,17H,9-10,12-14H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine has a molecular weight of 324.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is sourced from PubChem (CID 45237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).