4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine

C16H20N2O2S2 — CID 156633410

IUPAC4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine
SMILESCSc1ccccc1-c1csc(OCCN2CCOCC2)n1
InChIInChI=1S/C16H20N2O2S2/c1-21-15-5-3-2-4-13(15)14-12-22-16(17-14)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyYTALUKYLVUXSJQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.24
Rot. Bonds6

About 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine

4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine (PubChem CID 156633410) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine
PubChem CID156633410
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine
SMILESCSc1ccccc1-c1csc(OCCN2CCOCC2)n1
InChIInChI=1S/C16H20N2O2S2/c1-21-15-5-3-2-4-13(15)14-12-22-16(17-14)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyYTALUKYLVUXSJQ-UHFFFAOYSA-N
XLogP3.24
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine (CID 156633410) is 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine is CSc1ccccc1-c1csc(OCCN2CCOCC2)n1.
What is the InChIKey of 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine?
The InChIKey is YTALUKYLVUXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-21-15-5-3-2-4-13(15)14-12-22-16(17-14)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine?
4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine has a molecular weight of 336.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(2-methylsulfanylphenyl)-1,3-thiazol-2-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 156633410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).