quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C14H10F3N3S — CID 106783220

IUPACquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccc2ncccc2c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-4-10-8(6-9)2-1-5-19-10/h1-7,12H,18H2
InChIKeyQXDCXNYXGMSTKF-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.76
Rot. Bonds2

About quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783220) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namequinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783220
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Namequinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccc2ncccc2c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-4-10-8(6-9)2-1-5-19-10/h1-7,12H,18H2
InChIKeyQXDCXNYXGMSTKF-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl(quinolin-6-yl)methanamine
CID 105021010
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785673
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783218
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785356
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783220) is quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1ccc2ncccc2c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QXDCXNYXGMSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-4-10-8(6-9)2-1-5-19-10/h1-7,12H,18H2.
What are the key properties of quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 309.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).