4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine

C14H17F3N2S — CID 81143135

IUPAC4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnc2ccsc2c1
InChIInChI=1S/C14H17F3N2S/c1-2-6-18-11(3-5-14(15,16)17)10-8-13-12(19-9-10)4-7-20-13/h4,7-9,11,18H,2-3,5-6H2,1H3
InChIKeyLXFNQHSMLFXTIQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.68
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine

4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine (PubChem CID 81143135) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
PubChem CID81143135
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnc2ccsc2c1
InChIInChI=1S/C14H17F3N2S/c1-2-6-18-11(3-5-14(15,16)17)10-8-13-12(19-9-10)4-7-20-13/h4,7-9,11,18H,2-3,5-6H2,1H3
InChIKeyLXFNQHSMLFXTIQ-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81153016
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[2-(furan-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183572
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine (CID 81143135) is 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cnc2ccsc2c1.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine?
The InChIKey is LXFNQHSMLFXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-2-6-18-11(3-5-14(15,16)17)10-8-13-12(19-9-10)4-7-20-13/h4,7-9,11,18H,2-3,5-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine?
4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine has a molecular weight of 302.37 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine is sourced from PubChem (CID 81143135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).