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

C15H12N2S — CID 737901

IUPAC3-(2-phenyl-1,3-thiazol-4-yl)aniline
SMILESNc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H12N2S/c16-13-8-4-7-12(9-13)14-10-18-15(17-14)11-5-2-1-3-6-11/h1-10H,16H2
InChIKeyYYUPEYOWOHWJFZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.06
Rot. Bonds2

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

3-(2-phenyl-1,3-thiazol-4-yl)aniline (PubChem CID 737901) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazol-4-yl)aniline
PubChem CID737901
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name3-(2-phenyl-1,3-thiazol-4-yl)aniline
SMILESNc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H12N2S/c16-13-8-4-7-12(9-13)14-10-18-15(17-14)11-5-2-1-3-6-11/h1-10H,16H2
InChIKeyYYUPEYOWOHWJFZ-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.06
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 3-(2-phenyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)aniline (CID 737901) is 3-(2-phenyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 3-(2-phenyl-1,3-thiazol-4-yl)aniline is Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazol-4-yl)aniline?
The InChIKey is YYUPEYOWOHWJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c16-13-8-4-7-12(9-13)14-10-18-15(17-14)11-5-2-1-3-6-11/h1-10H,16H2.
What are the key properties of 3-(2-phenyl-1,3-thiazol-4-yl)aniline?
3-(2-phenyl-1,3-thiazol-4-yl)aniline has a molecular weight of 252.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 737901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).