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

C27H26F3N3OS — CID 143328601

IUPACN-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
SMILESFCC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1
InChIInChI=1S/C27H26F3N3OS/c28-17-27(29,30)22-14-20(11-12-24(22)34-15-18-6-2-1-3-7-18)32-26-33-23(16-35-26)21-10-4-8-19-9-5-13-31-25(19)21/h4-5,8-14,16,18H,1-3,6-7,15,17H2,(H,32,33)
InChIKeyDOLFWSWCJIWHGK-UHFFFAOYSA-N
MW497.59 g/mol
LogP8.12
Rot. Bonds8

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

N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine (PubChem CID 143328601) has the molecular formula C27H26F3N3OS and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
PubChem CID143328601
Molecular FormulaC27H26F3N3OS
Molecular Weight497.59 g/mol
Exact Mass497.17
IUPAC NameN-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine
SMILESFCC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1
InChIInChI=1S/C27H26F3N3OS/c28-17-27(29,30)22-14-20(11-12-24(22)34-15-18-6-2-1-3-7-18)32-26-33-23(16-35-26)21-10-4-8-19-9-5-13-31-25(19)21/h4-5,8-14,16,18H,1-3,6-7,15,17H2,(H,32,33)
InChIKeyDOLFWSWCJIWHGK-UHFFFAOYSA-N
XLogP8.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 58.12
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-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine (CID 143328601) is N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine is FCC(F)(F)c1cc(Nc2nc(-c3cccc4cccnc34)cs2)ccc1OCC1CCCCC1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
The InChIKey is DOLFWSWCJIWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3OS/c28-17-27(29,30)22-14-20(11-12-24(22)34-15-18-6-2-1-3-7-18)32-26-33-23(16-35-26)21-10-4-8-19-9-5-13-31-25(19)21/h4-5,8-14,16,18H,1-3,6-7,15,17H2,(H,32,33).
What are the key properties of N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine?
N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine has a molecular weight of 497.59 g/mol, XLogP of 8.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)-3-(1,1,2-trifluoroethyl)phenyl]-4-quinolin-8-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 143328601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).