3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine

C16H12Cl2FN3OS — CID 54579008

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H12Cl2FN3OS/c1-8(13-10(17)2-3-11(19)14(13)18)23-12-6-9(7-22-15(12)20)16-21-4-5-24-16/h2-8H,1H3,(H2,20,22)
InChIKeyGCKFRNJDXNHRHZ-UHFFFAOYSA-N
MW384.26 g/mol
LogP5.37
Rot. Bonds4

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 54579008) has the molecular formula C16H12Cl2FN3OS and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID54579008
Molecular FormulaC16H12Cl2FN3OS
Molecular Weight384.26 g/mol
Exact Mass383.01
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H12Cl2FN3OS/c1-8(13-10(17)2-3-11(19)14(13)18)23-12-6-9(7-22-15(12)20)16-21-4-5-24-16/h2-8H,1H3,(H2,20,22)
InChIKeyGCKFRNJDXNHRHZ-UHFFFAOYSA-N
XLogP5.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine (CID 54579008) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine is CC(Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is GCKFRNJDXNHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3OS/c1-8(13-10(17)2-3-11(19)14(13)18)23-12-6-9(7-22-15(12)20)16-21-4-5-24-16/h2-8H,1H3,(H2,20,22).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 384.26 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 54579008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).