N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C13H15F3N2S2 — CID 106783159

IUPACN-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H15F3N2S2/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,6,8,10,17H,2,5,7H2,1H3
InChIKeyLFNDXHINIAOSBP-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.51
Rot. Bonds6

About N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106783159) has the molecular formula C13H15F3N2S2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106783159
Molecular FormulaC13H15F3N2S2
Molecular Weight320.41 g/mol
Exact Mass320.06
IUPAC NameN-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H15F3N2S2/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,6,8,10,17H,2,5,7H2,1H3
InChIKeyLFNDXHINIAOSBP-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
N-[2-tert-butylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783294
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
N-[furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783247
N-[2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783469
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783684
N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62652461
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824

Frequently Asked Questions

What is the IUPAC name of N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106783159) is N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LFNDXHINIAOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S2/c1-2-5-17-10(7-9-4-3-6-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,6,8,10,17H,2,5,7H2,1H3.
What are the key properties of N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 320.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).