2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline

C17H16N2S — CID 79007291

IUPAC2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
SMILESCCc1nc(-c2ccccc2N)sc1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-2-15-16(12-8-4-3-5-9-12)20-17(19-15)13-10-6-7-11-14(13)18/h3-11H,2,18H2,1H3
InChIKeyJYOLJFJQOVMWRY-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.62
Rot. Bonds3

About 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline

2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline (PubChem CID 79007291) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
PubChem CID79007291
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
SMILESCCc1nc(-c2ccccc2N)sc1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-2-15-16(12-8-4-3-5-9-12)20-17(19-15)13-10-6-7-11-14(13)18/h3-11H,2,18H2,1H3
InChIKeyJYOLJFJQOVMWRY-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline (CID 79007291) is 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline is CCc1nc(-c2ccccc2N)sc1-c1ccccc1.
What is the InChIKey of 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline?
The InChIKey is JYOLJFJQOVMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-15-16(12-8-4-3-5-9-12)20-17(19-15)13-10-6-7-11-14(13)18/h3-11H,2,18H2,1H3.
What are the key properties of 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline?
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline has a molecular weight of 280.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 79007291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).