N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine

C17H15FN2S — CID 174409582

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine
SMILESCc1sc(-c2cccnc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2S/c1-12-16(20-10-13-4-6-15(18)7-5-13)9-17(21-12)14-3-2-8-19-11-14/h2-9,11,20H,10H2,1H3
InChIKeyMIWAMWCFNGENDW-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.87
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine

N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine (PubChem CID 174409582) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine
PubChem CID174409582
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine
SMILESCc1sc(-c2cccnc2)cc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2S/c1-12-16(20-10-13-4-6-15(18)7-5-13)9-17(21-12)14-3-2-8-19-11-14/h2-9,11,20H,10H2,1H3
InChIKeyMIWAMWCFNGENDW-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-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 N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine (CID 174409582) is N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine is Cc1sc(-c2cccnc2)cc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine?
The InChIKey is MIWAMWCFNGENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-12-16(20-10-13-4-6-15(18)7-5-13)9-17(21-12)14-3-2-8-19-11-14/h2-9,11,20H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine?
N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine has a molecular weight of 298.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-5-pyridin-3-ylthiophen-3-amine is sourced from PubChem (CID 174409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).