2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole

C20H10F3N3S — CID 164628501

IUPAC2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
SMILESFc1cc2c(-c3ccc4c(-c5nccs5)cccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C20H10F3N3S/c21-14-8-12-13(9-25-19(12)18(23)17(14)22)16-5-4-10-11(20-24-6-7-27-20)2-1-3-15(10)26-16/h1-9,25H
InChIKeyJTDBZHLRXRQETN-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.92
Rot. Bonds2

About 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole

2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (PubChem CID 164628501) has the molecular formula C20H10F3N3S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
PubChem CID164628501
Molecular FormulaC20H10F3N3S
Molecular Weight381.38 g/mol
Exact Mass381.05
IUPAC Name2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
SMILESFc1cc2c(-c3ccc4c(-c5nccs5)cccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C20H10F3N3S/c21-14-8-12-13(9-25-19(12)18(23)17(14)22)16-5-4-10-11(20-24-6-7-27-20)2-1-3-15(10)26-16/h1-9,25H
InChIKeyJTDBZHLRXRQETN-UHFFFAOYSA-N
XLogP5.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (CID 164628501) is 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is Fc1cc2c(-c3ccc4c(-c5nccs5)cccc4n3)c[nH]c2c(F)c1F.
What is the InChIKey of 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?
The InChIKey is JTDBZHLRXRQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N3S/c21-14-8-12-13(9-25-19(12)18(23)17(14)22)16-5-4-10-11(20-24-6-7-27-20)2-1-3-15(10)26-16/h1-9,25H.
What are the key properties of 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?
2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole has a molecular weight of 381.38 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is sourced from PubChem (CID 164628501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).