4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole

C13H11F3N2S — CID 114803002

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)12-18-11(7-19-12)9-1-2-10-6-17-4-3-8(10)5-9/h1-2,5,7,17H,3-4,6H2
InChIKeySQCSEXMATRWYPQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.47
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 114803002) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID114803002
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)12-18-11(7-19-12)9-1-2-10-6-17-4-3-8(10)5-9/h1-2,5,7,17H,3-4,6H2
InChIKeySQCSEXMATRWYPQ-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2-thiazoleethanamine
CID 1497794
4-(2,4-Dimethylphenyl)-2-methyl-1,3-thiazole
CID 2798044
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135313717
(3,4-Difluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanamine
CID 49789213
N-Methyl-N-[3-(2-methyl-1,3-thiazol-4-YL)benzyl]amine
CID 7060568
2-[3-(Trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 146186041
2-(2-(4-Methylphenyl)-1,3-thiazol-4-yl)ethan-1-amine
CID 3799257
1-[(2-Phenyl-1,3-thiazol-4-yl)methyl]piperazine
CID 16227339
4-(4-Phenyl-1,3-thiazol-2-yl)piperidine hydrochloride
CID 50988051
4-(4-Phenyl-1,3-thiazol-2-yl)piperidine dihydrochloride
CID 50988268
2-[2-[3-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 10812715
1-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine
CID 43841556

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 114803002) is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2ccc3c(c2)CCNC3)cs1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SQCSEXMATRWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-13(15,16)12-18-11(7-19-12)9-1-2-10-6-17-4-3-8(10)5-9/h1-2,5,7,17H,3-4,6H2.
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 284.31 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 114803002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).