2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline

C17H16N2OS — CID 58283710

IUPAC2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline
SMILESCc1cc(Oc2cc(-c3ccccc3)ns2)c(C)cc1N
InChIInChI=1S/C17H16N2OS/c1-11-9-16(12(2)8-14(11)18)20-17-10-15(19-21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3
InChIKeyQEPGMERWUUAHIG-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.80
Rot. Bonds3

About 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline

2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline (PubChem CID 58283710) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline
PubChem CID58283710
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline
SMILESCc1cc(Oc2cc(-c3ccccc3)ns2)c(C)cc1N
InChIInChI=1S/C17H16N2OS/c1-11-9-16(12(2)8-14(11)18)20-17-10-15(19-21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3
InChIKeyQEPGMERWUUAHIG-UHFFFAOYSA-N
XLogP4.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline?
The IUPAC name of 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline (CID 58283710) is 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline?
The canonical SMILES for 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline is Cc1cc(Oc2cc(-c3ccccc3)ns2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline?
The InChIKey is QEPGMERWUUAHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-9-16(12(2)8-14(11)18)20-17-10-15(19-21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline?
2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline has a molecular weight of 296.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline is sourced from PubChem (CID 58283710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).