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

C17H16N2OS — CID 43667895

IUPAC3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCOc1ccccc1-c1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C17H16N2OS/c1-2-20-16-9-4-3-8-14(16)15-11-21-17(19-15)12-6-5-7-13(18)10-12/h3-11H,2,18H2,1H3
InChIKeyDJLLORWRSMUZAH-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.46
Rot. Bonds4

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

3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667895) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID43667895
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCOc1ccccc1-c1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C17H16N2OS/c1-2-20-16-9-4-3-8-14(16)15-11-21-17(19-15)12-6-5-7-13(18)10-12/h3-11H,2,18H2,1H3
InChIKeyDJLLORWRSMUZAH-UHFFFAOYSA-N
XLogP4.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline (CID 43667895) is 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline is CCOc1ccccc1-c1csc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is DJLLORWRSMUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-20-16-9-4-3-8-14(16)15-11-21-17(19-15)12-6-5-7-13(18)10-12/h3-11H,2,18H2,1H3.
What are the key properties of 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline?
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 296.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).