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

C13H10N2OS — CID 55103450

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccco2)n1
InChIInChI=1S/C13H10N2OS/c14-10-5-2-1-4-9(10)11-8-17-13(15-11)12-6-3-7-16-12/h1-8H,14H2
InChIKeyQRGBQDPFFLZODD-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.65
Rot. Bonds2

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

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 55103450) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
PubChem CID55103450
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccco2)n1
InChIInChI=1S/C13H10N2OS/c14-10-5-2-1-4-9(10)11-8-17-13(15-11)12-6-3-7-16-12/h1-8H,14H2
InChIKeyQRGBQDPFFLZODD-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline (CID 55103450) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline is Nc1ccccc1-c1csc(-c2ccco2)n1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is QRGBQDPFFLZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-10-5-2-1-4-9(10)11-8-17-13(15-11)12-6-3-7-16-12/h1-8H,14H2.
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 242.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 55103450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).