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

C13H16N2OS — CID 65169068

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline
SMILESCCc1ccc(Oc2nc(C)c(C)s2)c(N)c1
InChIInChI=1S/C13H16N2OS/c1-4-10-5-6-12(11(14)7-10)16-13-15-8(2)9(3)17-13/h5-7H,4,14H2,1-3H3
InChIKeyNPFLDFJWFSQNBF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.70
Rot. Bonds3

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline (PubChem CID 65169068) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline
PubChem CID65169068
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline
SMILESCCc1ccc(Oc2nc(C)c(C)s2)c(N)c1
InChIInChI=1S/C13H16N2OS/c1-4-10-5-6-12(11(14)7-10)16-13-15-8(2)9(3)17-13/h5-7H,4,14H2,1-3H3
InChIKeyNPFLDFJWFSQNBF-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.70
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-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline (CID 65169068) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline is CCc1ccc(Oc2nc(C)c(C)s2)c(N)c1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline?
The InChIKey is NPFLDFJWFSQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-10-5-6-12(11(14)7-10)16-13-15-8(2)9(3)17-13/h5-7H,4,14H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline has a molecular weight of 248.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline is sourced from PubChem (CID 65169068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).