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

C18H18N2O2S — CID 82163148

IUPAC3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
SMILESCOc1ccccc1-c1csc(CCOc2cccc(N)c2)n1
InChIInChI=1S/C18H18N2O2S/c1-21-17-8-3-2-7-15(17)16-12-23-18(20-16)9-10-22-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10,19H2,1H3
InChIKeyCEIAERQNCLXDKO-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.02
Rot. Bonds6

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

3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline (PubChem CID 82163148) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
PubChem CID82163148
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
SMILESCOc1ccccc1-c1csc(CCOc2cccc(N)c2)n1
InChIInChI=1S/C18H18N2O2S/c1-21-17-8-3-2-7-15(17)16-12-23-18(20-16)9-10-22-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10,19H2,1H3
InChIKeyCEIAERQNCLXDKO-UHFFFAOYSA-N
XLogP4.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.02
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 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The IUPAC name of 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline (CID 82163148) is 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The canonical SMILES for 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline is COc1ccccc1-c1csc(CCOc2cccc(N)c2)n1.
What is the InChIKey of 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The InChIKey is CEIAERQNCLXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-21-17-8-3-2-7-15(17)16-12-23-18(20-16)9-10-22-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10,19H2,1H3.
What are the key properties of 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline has a molecular weight of 326.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline is sourced from PubChem (CID 82163148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).