4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline

C11H12N2O2S — CID 102702487

IUPAC4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline
SMILESCOc1ccc(N)c(OCc2nccs2)c1
InChIInChI=1S/C11H12N2O2S/c1-14-8-2-3-9(12)10(6-8)15-7-11-13-4-5-16-11/h2-6H,7,12H2,1H3
InChIKeyQMNWFIGLHDVSIE-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.31
Rot. Bonds4

About 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline

4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline (PubChem CID 102702487) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline
PubChem CID102702487
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline
SMILESCOc1ccc(N)c(OCc2nccs2)c1
InChIInChI=1S/C11H12N2O2S/c1-14-8-2-3-9(12)10(6-8)15-7-11-13-4-5-16-11/h2-6H,7,12H2,1H3
InChIKeyQMNWFIGLHDVSIE-UHFFFAOYSA-N
XLogP2.31
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline?
The IUPAC name of 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline (CID 102702487) is 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline.
What is the SMILES notation for 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline?
The canonical SMILES for 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline is COc1ccc(N)c(OCc2nccs2)c1.
What is the InChIKey of 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline?
The InChIKey is QMNWFIGLHDVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-14-8-2-3-9(12)10(6-8)15-7-11-13-4-5-16-11/h2-6H,7,12H2,1H3.
What are the key properties of 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline?
4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline has a molecular weight of 236.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline is sourced from PubChem (CID 102702487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).