N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine

C26H24F3N3OS — CID 58791940

IUPACN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1
InChIInChI=1S/C26H24F3N3OS/c27-26(28,29)21-14-19(11-12-23(21)33-15-17-6-2-1-3-7-17)31-25-32-22(16-34-25)20-10-4-8-18-9-5-13-30-24(18)20/h4-5,8-14,16-17H,1-3,6-7,15H2,(H,31,32)
InChIKeyWINYOZAERVUXAI-UHFFFAOYSA-N
MW483.56 g/mol
LogP8.08
Rot. Bonds6

About N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine

N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine (PubChem CID 58791940) has the molecular formula C26H24F3N3OS and a molecular weight of 483.56 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
PubChem CID58791940
Molecular FormulaC26H24F3N3OS
Molecular Weight483.56 g/mol
Exact Mass483.16
IUPAC NameN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1
InChIInChI=1S/C26H24F3N3OS/c27-26(28,29)21-14-19(11-12-23(21)33-15-17-6-2-1-3-7-17)31-25-32-22(16-34-25)20-10-4-8-18-9-5-13-30-24(18)20/h4-5,8-14,16-17H,1-3,6-7,15H2,(H,31,32)
InChIKeyWINYOZAERVUXAI-UHFFFAOYSA-N
XLogP8.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine (CID 58791940) is N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The InChIKey is WINYOZAERVUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3OS/c27-26(28,29)21-14-19(11-12-23(21)33-15-17-6-2-1-3-7-17)31-25-32-22(16-34-25)20-10-4-8-18-9-5-13-30-24(18)20/h4-5,8-14,16-17H,1-3,6-7,15H2,(H,31,32).
What are the key properties of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine has a molecular weight of 483.56 g/mol, XLogP of 8.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).