2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine

C20H27ClN2O3S — CID 67935934

IUPAC2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine
SMILESCCOCCOc1ccc(C(C)CN2CCOC(c3csc(Cl)n3)C2)cc1
InChIInChI=1S/C20H27ClN2O3S/c1-3-24-10-11-25-17-6-4-16(5-7-17)15(2)12-23-8-9-26-19(13-23)18-14-27-20(21)22-18/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyLCLSENAFFAGREI-UHFFFAOYSA-N
MW410.97 g/mol
LogP4.39
Rot. Bonds9

About 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine

2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine (PubChem CID 67935934) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine
PubChem CID67935934
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC Name2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine
SMILESCCOCCOc1ccc(C(C)CN2CCOC(c3csc(Cl)n3)C2)cc1
InChIInChI=1S/C20H27ClN2O3S/c1-3-24-10-11-25-17-6-4-16(5-7-17)15(2)12-23-8-9-26-19(13-23)18-14-27-20(21)22-18/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyLCLSENAFFAGREI-UHFFFAOYSA-N
XLogP4.39
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine?
The IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine (CID 67935934) is 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine is CCOCCOc1ccc(C(C)CN2CCOC(c3csc(Cl)n3)C2)cc1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine?
The InChIKey is LCLSENAFFAGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3S/c1-3-24-10-11-25-17-6-4-16(5-7-17)15(2)12-23-8-9-26-19(13-23)18-14-27-20(21)22-18/h4-7,14-15,19H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine?
2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine has a molecular weight of 410.97 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine is sourced from PubChem (CID 67935934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).