N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine

C10H15F3N2S — CID 115517469

IUPACN-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cncs1
InChIInChI=1S/C10H15F3N2S/c1-2-15-8(9-6-14-7-16-9)4-3-5-10(11,12)13/h6-8,15H,2-5H2,1H3
InChIKeyNLJGBOWHZTWWLW-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.53
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine (PubChem CID 115517469) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
PubChem CID115517469
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cncs1
InChIInChI=1S/C10H15F3N2S/c1-2-15-8(9-6-14-7-16-9)4-3-5-10(11,12)13/h6-8,15H,2-5H2,1H3
InChIKeyNLJGBOWHZTWWLW-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine
CID 107009508
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid
CID 83819254
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
1-(1,3-thiazol-5-yl)octylhydrazine
CID 105253705
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024304
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
[5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-5-yl)pentyl]hydrazine
CID 105328896
3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 83816401

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine (CID 115517469) is N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)c1cncs1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine?
The InChIKey is NLJGBOWHZTWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-2-15-8(9-6-14-7-16-9)4-3-5-10(11,12)13/h6-8,15H,2-5H2,1H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 115517469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).