4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine

C17H22N2O3S — CID 167951513

IUPAC4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine
SMILESCOCCc1csc(N2CCOC(c3ccc(OC)cc3)C2)n1
InChIInChI=1S/C17H22N2O3S/c1-20-9-7-14-12-23-17(18-14)19-8-10-22-16(11-19)13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyZSPFYXRCCZQFNX-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.92
Rot. Bonds6

About 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine

4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine (PubChem CID 167951513) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine
PubChem CID167951513
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine
SMILESCOCCc1csc(N2CCOC(c3ccc(OC)cc3)C2)n1
InChIInChI=1S/C17H22N2O3S/c1-20-9-7-14-12-23-17(18-14)19-8-10-22-16(11-19)13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyZSPFYXRCCZQFNX-UHFFFAOYSA-N
XLogP2.92
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine?
The IUPAC name of 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine (CID 167951513) is 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine?
The canonical SMILES for 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine is COCCc1csc(N2CCOC(c3ccc(OC)cc3)C2)n1.
What is the InChIKey of 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine?
The InChIKey is ZSPFYXRCCZQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-20-9-7-14-12-23-17(18-14)19-8-10-22-16(11-19)13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine?
4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine has a molecular weight of 334.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)morpholine is sourced from PubChem (CID 167951513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).