4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine

C18H12FN3S — CID 11370662

IUPAC4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2F)c(-c2ccnc3ccccc23)s1
InChIInChI=1S/C18H12FN3S/c19-14-7-3-1-6-13(14)16-17(23-18(20)22-16)12-9-10-21-15-8-4-2-5-11(12)15/h1-10H,(H2,20,22)
InChIKeyXFRSTLMKCGEHNT-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.75
Rot. Bonds2

About 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine

4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine (PubChem CID 11370662) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine
PubChem CID11370662
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2F)c(-c2ccnc3ccccc23)s1
InChIInChI=1S/C18H12FN3S/c19-14-7-3-1-6-13(14)16-17(23-18(20)22-16)12-9-10-21-15-8-4-2-5-11(12)15/h1-10H,(H2,20,22)
InChIKeyXFRSTLMKCGEHNT-UHFFFAOYSA-N
XLogP4.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine (CID 11370662) is 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2F)c(-c2ccnc3ccccc23)s1.
What is the InChIKey of 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine?
The InChIKey is XFRSTLMKCGEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c19-14-7-3-1-6-13(14)16-17(23-18(20)22-16)12-9-10-21-15-8-4-2-5-11(12)15/h1-10H,(H2,20,22).
What are the key properties of 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine?
4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine has a molecular weight of 321.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-quinolin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 11370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).