2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline

C14H10FN3S — CID 39164031

IUPAC2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
SMILESNc1cc(-c2csc(-c3ccccn3)n2)ccc1F
InChIInChI=1S/C14H10FN3S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h1-8H,16H2
InChIKeyHZENKLBNHMHQNK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.59
Rot. Bonds2

About 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline

2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline (PubChem CID 39164031) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
PubChem CID39164031
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
SMILESNc1cc(-c2csc(-c3ccccn3)n2)ccc1F
InChIInChI=1S/C14H10FN3S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h1-8H,16H2
InChIKeyHZENKLBNHMHQNK-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.59
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-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline (CID 39164031) is 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline is Nc1cc(-c2csc(-c3ccccn3)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline?
The InChIKey is HZENKLBNHMHQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h1-8H,16H2.
What are the key properties of 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline?
2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 271.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 39164031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).