6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine

C11H17F3N2S — CID 104924918

IUPAC6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
SMILESCc1cnc(CNC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-8(4-3-5-11(12,13)14)15-7-10-16-6-9(2)17-10/h6,8,15H,3-5,7H2,1-2H3
InChIKeyKJTKNQNUZUFTEB-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.66
Rot. Bonds6

About 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine

6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine (PubChem CID 104924918) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
PubChem CID104924918
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
SMILESCc1cnc(CNC(C)CCCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-8(4-3-5-11(12,13)14)15-7-10-16-6-9(2)17-10/h6,8,15H,3-5,7H2,1-2H3
InChIKeyKJTKNQNUZUFTEB-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
CID 115724465
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
5-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 114128702
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
CID 75424353
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113429018
N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534688

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine (CID 104924918) is 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine is Cc1cnc(CNC(C)CCCC(F)(F)F)s1.
What is the InChIKey of 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine?
The InChIKey is KJTKNQNUZUFTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-8(4-3-5-11(12,13)14)15-7-10-16-6-9(2)17-10/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine?
6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 104924918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).