1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C15H15FN4S — CID 61060380

IUPAC1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H15FN4S/c1-20-10-18-19-15(20)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,10,17H,8-9H2,1H3
InChIKeyUOHHGLOVTPPHEC-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 61060380) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID61060380
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H15FN4S/c1-20-10-18-19-15(20)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,10,17H,8-9H2,1H3
InChIKeyUOHHGLOVTPPHEC-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine 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 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 61060380) is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cn1cnnc1CNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is UOHHGLOVTPPHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-20-10-18-19-15(20)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 302.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 61060380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).