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

C15H25F3N2S — CID 106786044

IUPACN-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H25F3N2S/c1-3-5-6-7-8-9-10-12(19-4-2)13-11-20-14(21-13)15(16,17)18/h11-12,19H,3-10H2,1-2H3
InChIKeySPAXWZHEIVLQIW-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.56
Rot. Bonds10

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

N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine (PubChem CID 106786044) has the molecular formula C15H25F3N2S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine
PubChem CID106786044
Molecular FormulaC15H25F3N2S
Molecular Weight322.44 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H25F3N2S/c1-3-5-6-7-8-9-10-12(19-4-2)13-11-20-14(21-13)15(16,17)18/h11-12,19H,3-10H2,1-2H3
InChIKeySPAXWZHEIVLQIW-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106785645
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238
N-[2-tert-butylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783294
N-ethyl-1-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine (CID 106786044) is N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine is CCCCCCCCC(NCC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine?
The InChIKey is SPAXWZHEIVLQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2S/c1-3-5-6-7-8-9-10-12(19-4-2)13-11-20-14(21-13)15(16,17)18/h11-12,19H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine?
N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine has a molecular weight of 322.44 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine is sourced from PubChem (CID 106786044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).