[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine

C18H13FN2OS — CID 66671339

IUPAC[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine
SMILESNC(c1ccco1)c1nccc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H13FN2OS/c19-12-5-3-11(4-6-12)13-10-23-15-7-8-21-18(16(13)15)17(20)14-2-1-9-22-14/h1-10,17H,20H2
InChIKeyXCTWHWDENRZJTR-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.74
Rot. Bonds3

About [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine

[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine (PubChem CID 66671339) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine
PubChem CID66671339
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine
SMILESNC(c1ccco1)c1nccc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H13FN2OS/c19-12-5-3-11(4-6-12)13-10-23-15-7-8-21-18(16(13)15)17(20)14-2-1-9-22-14/h1-10,17H,20H2
InChIKeyXCTWHWDENRZJTR-UHFFFAOYSA-N
XLogP4.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine?
The IUPAC name of [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine (CID 66671339) is [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine?
The canonical SMILES for [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine is NC(c1ccco1)c1nccc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine?
The InChIKey is XCTWHWDENRZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-12-5-3-11(4-6-12)13-10-23-15-7-8-21-18(16(13)15)17(20)14-2-1-9-22-14/h1-10,17H,20H2.
What are the key properties of [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine?
[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine has a molecular weight of 324.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-(furan-2-yl)methanamine is sourced from PubChem (CID 66671339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).