8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine

C13H12FNS2 — CID 66352531

IUPAC8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2Nc1ccsc1
InChIInChI=1S/C13H12FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-4,6,8,12,15H,5,7H2
InChIKeyUIZJYJWASQDHES-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.54
Rot. Bonds2

About 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 66352531) has the molecular formula C13H12FNS2 and a molecular weight of 265.38 g/mol. Its IUPAC name is 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID66352531
Molecular FormulaC13H12FNS2
Molecular Weight265.38 g/mol
Exact Mass265.04
IUPAC Name8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2Nc1ccsc1
InChIInChI=1S/C13H12FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-4,6,8,12,15H,5,7H2
InChIKeyUIZJYJWASQDHES-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 66352531) is 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2Nc1ccsc1.
What is the InChIKey of 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UIZJYJWASQDHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS2/c14-11-3-1-2-10-12(5-7-17-13(10)11)15-9-4-6-16-8-9/h1-4,6,8,12,15H,5,7H2.
What are the key properties of 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 265.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 66352531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).