4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline

C12H14N2OS — CID 19626869

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline
SMILESCc1ncsc1CCOc1ccc(N)cc1
InChIInChI=1S/C12H14N2OS/c1-9-12(16-8-14-9)6-7-15-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3
InChIKeyGEDFJMOXJAGKQH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline (PubChem CID 19626869) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline
PubChem CID19626869
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline
SMILESCc1ncsc1CCOc1ccc(N)cc1
InChIInChI=1S/C12H14N2OS/c1-9-12(16-8-14-9)6-7-15-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3
InChIKeyGEDFJMOXJAGKQH-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline (CID 19626869) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline is Cc1ncsc1CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline?
The InChIKey is GEDFJMOXJAGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-12(16-8-14-9)6-7-15-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline has a molecular weight of 234.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]aniline is sourced from PubChem (CID 19626869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).