1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine

C13H15F3N2S2 — CID 84589401

IUPAC1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N2S2/c1-9(6-10-3-5-19-7-10)17-4-2-12-18-11(8-20-12)13(14,15)16/h3,5,7-9,17H,2,4,6H2,1H3
InChIKeyOOVQIFIQHMMVOT-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.99
Rot. Bonds6

About 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine

1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (PubChem CID 84589401) has the molecular formula C13H15F3N2S2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
PubChem CID84589401
Molecular FormulaC13H15F3N2S2
Molecular Weight320.41 g/mol
Exact Mass320.06
IUPAC Name1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N2S2/c1-9(6-10-3-5-19-7-10)17-4-2-12-18-11(8-20-12)13(14,15)16/h3,5,7-9,17H,2,4,6H2,1H3
InChIKeyOOVQIFIQHMMVOT-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
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N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
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N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
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(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
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3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
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6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
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1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111687618
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (CID 84589401) is 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is CC(Cc1ccsc1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is OOVQIFIQHMMVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S2/c1-9(6-10-3-5-19-7-10)17-4-2-12-18-11(8-20-12)13(14,15)16/h3,5,7-9,17H,2,4,6H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 320.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 84589401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).