2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H12F2N2S — CID 81143289

IUPAC2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H12F2N2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2
InChIKeyXTUSDPHNMQHVPS-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.82
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81143289) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81143289
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H12F2N2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2
InChIKeyXTUSDPHNMQHVPS-UHFFFAOYSA-N
XLogP3.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103048987
2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144040
2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144150
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81144033
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanamine
CID 81144141
2-(2-chloro-5-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 102619203
2-(2,3-dihydro-1H-inden-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81153890
3-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81143575
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
[(4-fluoro-3-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]hydrazine
CID 105256367
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81143289) is 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is NC(Cc1cc(F)ccc1F)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is XTUSDPHNMQHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 290.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81143289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).