2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C15H13FN2S — CID 64829352

IUPAC2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1ccccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H13FN2S/c1-10(18-13-5-3-2-4-12(13)16)11-8-15-14(17-9-11)6-7-19-15/h2-10,18H,1H3
InChIKeyCVVZNLGMFZXIQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.61
Rot. Bonds3

About 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64829352) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64829352
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1ccccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H13FN2S/c1-10(18-13-5-3-2-4-12(13)16)11-8-15-14(17-9-11)6-7-19-15/h2-10,18H,1H3
InChIKeyCVVZNLGMFZXIQS-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467399
4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64831111
5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829156
3-(1-thieno[3,2-b]pyridin-6-ylethylamino)phenol
CID 64830345
4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
CID 64828589

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64829352) is 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is CC(Nc1ccccc1F)c1cnc2ccsc2c1.
What is the InChIKey of 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is CVVZNLGMFZXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10(18-13-5-3-2-4-12(13)16)11-8-15-14(17-9-11)6-7-19-15/h2-10,18H,1H3.
What are the key properties of 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).