2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

C12H11F3N2S2 — CID 55020982

IUPAC2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNCC(Sc1ccc(C(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C12H11F3N2S2/c13-12(14,15)8-3-4-11(17-7-8)19-10(6-16)9-2-1-5-18-9/h1-5,7,10H,6,16H2
InChIKeyFMLWTGMRDVGDNZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.95
Rot. Bonds4

About 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (PubChem CID 55020982) has the molecular formula C12H11F3N2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
PubChem CID55020982
Molecular FormulaC12H11F3N2S2
Molecular Weight304.36 g/mol
Exact Mass304.03
IUPAC Name2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNCC(Sc1ccc(C(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C12H11F3N2S2/c13-12(14,15)8-3-4-11(17-7-8)19-10(6-16)9-2-1-5-18-9/h1-5,7,10H,6,16H2
InChIKeyFMLWTGMRDVGDNZ-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 102818650
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
2-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
CID 43094741
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
CID 63538093
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
CID 114370116
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-amine
CID 55091984
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 43426391
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 43082813

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The IUPAC name of 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (CID 55020982) is 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The canonical SMILES for 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is NCC(Sc1ccc(C(F)(F)F)cn1)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The InChIKey is FMLWTGMRDVGDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S2/c13-12(14,15)8-3-4-11(17-7-8)19-10(6-16)9-2-1-5-18-9/h1-5,7,10H,6,16H2.
What are the key properties of 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is sourced from PubChem (CID 55020982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).