N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine

C13H13FN2S — CID 106194051

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
SMILESFc1cc(NCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C13H13FN2S/c14-13-7-10(4-5-15-13)16-8-11-6-9-2-1-3-12(9)17-11/h4-7H,1-3,8H2,(H,15,16)
InChIKeyRVLGIRVCZRKGIA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.38
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine (PubChem CID 106194051) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
PubChem CID106194051
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
SMILESFc1cc(NCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C13H13FN2S/c14-13-7-10(4-5-15-13)16-8-11-6-9-2-1-3-12(9)17-11/h4-7H,1-3,8H2,(H,15,16)
InChIKeyRVLGIRVCZRKGIA-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine (CID 106194051) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine is Fc1cc(NCc2cc3c(s2)CCC3)ccn1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine?
The InChIKey is RVLGIRVCZRKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-13-7-10(4-5-15-13)16-8-11-6-9-2-1-3-12(9)17-11/h4-7H,1-3,8H2,(H,15,16).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine is sourced from PubChem (CID 106194051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).