2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C9H13F3N2S2 — CID 106783287

IUPAC2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S2/c1-5(2)15-4-6(13)7-3-14-8(16-7)9(10,11)12/h3,5-6H,4,13H2,1-2H3
InChIKeyDDFWQGUZLFERML-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.30
Rot. Bonds4

About 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783287) has the molecular formula C9H13F3N2S2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783287
Molecular FormulaC9H13F3N2S2
Molecular Weight270.35 g/mol
Exact Mass270.05
IUPAC Name2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)SCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S2/c1-5(2)15-4-6(13)7-3-14-8(16-7)9(10,11)12/h3,5-6H,4,13H2,1-2H3
InChIKeyDDFWQGUZLFERML-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
3,5,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106786341
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-yn-2-amine
CID 106783833
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785683

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783287) is 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CC(C)SCC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DDFWQGUZLFERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S2/c1-5(2)15-4-6(13)7-3-14-8(16-7)9(10,11)12/h3,5-6H,4,13H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 270.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).