4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine

C13H16N2O2S — CID 177213963

IUPAC4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCOCc1ccccc1-c1csc(N)n1
InChIInChI=1S/C13H16N2O2S/c1-16-6-7-17-8-10-4-2-3-5-11(10)12-9-18-13(14)15-12/h2-5,9H,6-8H2,1H3,(H2,14,15)
InChIKeyQHPJGKVUJBXZIU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine

4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 177213963) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID177213963
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCOCc1ccccc1-c1csc(N)n1
InChIInChI=1S/C13H16N2O2S/c1-16-6-7-17-8-10-4-2-3-5-11(10)12-9-18-13(14)15-12/h2-5,9H,6-8H2,1H3,(H2,14,15)
InChIKeyQHPJGKVUJBXZIU-UHFFFAOYSA-N
XLogP2.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-amine
CID 162386865
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
[2-(2-amino-1,3-thiazol-4-yl)phenyl]methanol
CID 105459084
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 177214020
2-(2-amino-1,3-thiazol-4-yl)benzoic acid
CID 1409773

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine (CID 177213963) is 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine is COCCOCc1ccccc1-c1csc(N)n1.
What is the InChIKey of 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QHPJGKVUJBXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-6-7-17-8-10-4-2-3-5-11(10)12-9-18-13(14)15-12/h2-5,9H,6-8H2,1H3,(H2,14,15).
What are the key properties of 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine?
4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 177213963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).