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

C14H10F3N3S — CID 106785673

IUPACquinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)c1cccc2ncccc12
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-1-5-10-8(9)4-2-6-19-10/h1-7,12H,18H2
InChIKeyGATMGHZHWBJCSK-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.76
Rot. Bonds2

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

quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785673) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namequinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785673
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Namequinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)c1cccc2ncccc12
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-1-5-10-8(9)4-2-6-19-10/h1-7,12H,18H2
InChIKeyGATMGHZHWBJCSK-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

(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
CID 115604916
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783218
isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782263
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653

Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785673) is quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)c1cccc2ncccc12.
What is the InChIKey of quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GATMGHZHWBJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)13-20-7-11(21-13)12(18)9-3-1-5-10-8(9)4-2-6-19-10/h1-7,12H,18H2.
What are the key properties of quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
quinolin-5-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-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).