6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C14H14FN3S — CID 62763413

IUPAC6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NCc1cnccn1)CCS2
InChIInChI=1S/C14H14FN3S/c15-10-1-2-14-12(7-10)13(3-6-19-14)18-9-11-8-16-4-5-17-11/h1-2,4-5,7-8,13,18H,3,6,9H2
InChIKeyAAJPIVOUQPLUCN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.94
Rot. Bonds3

About 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 62763413) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID62763413
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NCc1cnccn1)CCS2
InChIInChI=1S/C14H14FN3S/c15-10-1-2-14-12(7-10)13(3-6-19-14)18-9-11-8-16-4-5-17-11/h1-2,4-5,7-8,13,18H,3,6,9H2
InChIKeyAAJPIVOUQPLUCN-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 62763413) is 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc2c(c1)C(NCc1cnccn1)CCS2.
What is the InChIKey of 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is AAJPIVOUQPLUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-10-1-2-14-12(7-10)13(3-6-19-14)18-9-11-8-16-4-5-17-11/h1-2,4-5,7-8,13,18H,3,6,9H2.
What are the key properties of 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 275.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 62763413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).