4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline

C11H12N2O2S — CID 43173770

IUPAC4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCOc1ccc(N)cc1Oc1nc(C)cs1
InChIInChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-5-8(12)3-4-9(10)14-2/h3-6H,12H2,1-2H3
InChIKeyVYWPTZSZMGAAFC-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.83
Rot. Bonds3

About 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline

4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 43173770) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID43173770
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCOc1ccc(N)cc1Oc1nc(C)cs1
InChIInChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-5-8(12)3-4-9(10)14-2/h3-6H,12H2,1-2H3
InChIKeyVYWPTZSZMGAAFC-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.83
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-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (CID 43173770) is 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is COc1ccc(N)cc1Oc1nc(C)cs1.
What is the InChIKey of 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is VYWPTZSZMGAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-5-8(12)3-4-9(10)14-2/h3-6H,12H2,1-2H3.
What are the key properties of 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 236.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 43173770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).