N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine

C14H23F3N2S — CID 106785645

IUPACN,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H23F3N2S/c1-4-7-8-10(5-2)12(18-6-3)11-9-19-13(20-11)14(15,16)17/h9-10,12,18H,4-8H2,1-3H3
InChIKeyACIDBQAEEQWCQE-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.03
Rot. Bonds8

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

N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine (PubChem CID 106785645) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
PubChem CID106785645
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC NameN,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H23F3N2S/c1-4-7-8-10(5-2)12(18-6-3)11-9-19-13(20-11)14(15,16)17/h9-10,12,18H,4-8H2,1-3H3
InChIKeyACIDBQAEEQWCQE-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]nonan-1-amine
CID 106786044
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N-[2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783469
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783665
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
N-[(2-bromofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106859032

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine?
The IUPAC name of N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine (CID 106785645) is N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine?
The canonical SMILES for N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine is CCCCC(CC)C(NCC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine?
The InChIKey is ACIDBQAEEQWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-4-7-8-10(5-2)12(18-6-3)11-9-19-13(20-11)14(15,16)17/h9-10,12,18H,4-8H2,1-3H3.
What are the key properties of N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine?
N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine has a molecular weight of 308.41 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 106785645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).