2-phenyl-5-(1,2-thiazol-5-yl)aniline

C15H12N2S — CID 155271244

IUPAC2-phenyl-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1ccccc1
InChIInChI=1S/C15H12N2S/c16-14-10-12(15-8-9-17-18-15)6-7-13(14)11-4-2-1-3-5-11/h1-10H,16H2
InChIKeyIWVRKPPLNHJCJQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.06
Rot. Bonds2

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

2-phenyl-5-(1,2-thiazol-5-yl)aniline (PubChem CID 155271244) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-phenyl-5-(1,2-thiazol-5-yl)aniline.

Molecular Properties

Compound Name2-phenyl-5-(1,2-thiazol-5-yl)aniline
PubChem CID155271244
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-phenyl-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1ccccc1
InChIInChI=1S/C15H12N2S/c16-14-10-12(15-8-9-17-18-15)6-7-13(14)11-4-2-1-3-5-11/h1-10H,16H2
InChIKeyIWVRKPPLNHJCJQ-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 2-phenyl-5-(1,2-thiazol-5-yl)aniline?
The IUPAC name of 2-phenyl-5-(1,2-thiazol-5-yl)aniline (CID 155271244) is 2-phenyl-5-(1,2-thiazol-5-yl)aniline.
What is the SMILES notation for 2-phenyl-5-(1,2-thiazol-5-yl)aniline?
The canonical SMILES for 2-phenyl-5-(1,2-thiazol-5-yl)aniline is Nc1cc(-c2ccns2)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(1,2-thiazol-5-yl)aniline?
The InChIKey is IWVRKPPLNHJCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c16-14-10-12(15-8-9-17-18-15)6-7-13(14)11-4-2-1-3-5-11/h1-10H,16H2.
What are the key properties of 2-phenyl-5-(1,2-thiazol-5-yl)aniline?
2-phenyl-5-(1,2-thiazol-5-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 2-phenyl-5-(1,2-thiazol-5-yl)aniline is sourced from PubChem (CID 155271244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).