(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C15H16FN3OS — CID 61104456

IUPAC(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-1-2-4-13(11)18-6-8-19(9-7-18)15(20)14-12(17)5-10-21-14/h1-5,10H,6-9,17H2
InChIKeyBMPBJKUNHWJVEX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.43
Rot. Bonds2

About (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 61104456) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID61104456
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-1-2-4-13(11)18-6-8-19(9-7-18)15(20)14-12(17)5-10-21-14/h1-5,10H,6-9,17H2
InChIKeyBMPBJKUNHWJVEX-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone 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 (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 61104456) is (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Nc1ccsc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BMPBJKUNHWJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-3-1-2-4-13(11)18-6-8-19(9-7-18)15(20)14-12(17)5-10-21-14/h1-5,10H,6-9,17H2.
What are the key properties of (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61104456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).