1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H11F3N2OS — CID 106784642

IUPAC1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7,18H,1-2,5H2
InChIKeyUKDPPDLPUQHQIT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.75
Rot. Bonds2

About 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784642) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784642
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7,18H,1-2,5H2
InChIKeyUKDPPDLPUQHQIT-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 102652415
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83165588
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114668416
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784642) is 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccc2c(c1)CCCN2)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is UKDPPDLPUQHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7,18H,1-2,5H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 312.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).