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

C10H9F3N2S2 — CID 106783156

IUPAC2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h1-3,5,7H,4,14H2
InChIKeyCQQBAOCTKUHJBV-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.47
Rot. Bonds3

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

2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783156) has the molecular formula C10H9F3N2S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783156
Molecular FormulaC10H9F3N2S2
Molecular Weight278.32 g/mol
Exact Mass278.02
IUPAC Name2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h1-3,5,7H,4,14H2
InChIKeyCQQBAOCTKUHJBV-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783156) is 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(Cc1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is CQQBAOCTKUHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S2/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h1-3,5,7H,4,14H2.
What are the key properties of 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 278.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).