2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C13H12F4N2S2 — CID 106783376

IUPAC2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CSc1cccc(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12F4N2S2/c1-18-10(7-20-9-4-2-3-8(14)5-9)11-6-19-12(21-11)13(15,16)17/h2-6,10,18H,7H2,1H3
InChIKeyLVEITZMIOBBRAW-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.35
Rot. Bonds5

About 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783376) has the molecular formula C13H12F4N2S2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783376
Molecular FormulaC13H12F4N2S2
Molecular Weight336.38 g/mol
Exact Mass336.04
IUPAC Name2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CSc1cccc(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12F4N2S2/c1-18-10(7-20-9-4-2-3-8(14)5-9)11-6-19-12(21-11)13(15,16)17/h2-6,10,18H,7H2,1H3
InChIKeyLVEITZMIOBBRAW-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656071
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 106462563
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
2-(2,5-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785616
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66070427
N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785082
1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785993

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783376) is 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(CSc1cccc(F)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LVEITZMIOBBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S2/c1-18-10(7-20-9-4-2-3-8(14)5-9)11-6-19-12(21-11)13(15,16)17/h2-6,10,18H,7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 336.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).