[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone

C15H14F2N2OS — CID 103417616

IUPAC[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(NCc2cc(F)ccc2F)sc1C(=O)C1CC1
InChIInChI=1S/C15H14F2N2OS/c16-10-3-4-11(17)9(5-10)7-19-13-6-12(18)15(21-13)14(20)8-1-2-8/h3-6,8,19H,1-2,7,18H2
InChIKeyYUZLFQARABZXDY-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.81
Rot. Bonds5

About [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103417616) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103417616
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESNc1cc(NCc2cc(F)ccc2F)sc1C(=O)C1CC1
InChIInChI=1S/C15H14F2N2OS/c16-10-3-4-11(17)9(5-10)7-19-13-6-12(18)15(21-13)14(20)8-1-2-8/h3-6,8,19H,1-2,7,18H2
InChIKeyYUZLFQARABZXDY-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone 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-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone (CID 103417616) is [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone is Nc1cc(NCc2cc(F)ccc2F)sc1C(=O)C1CC1.
What is the InChIKey of [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is YUZLFQARABZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c16-10-3-4-11(17)9(5-10)7-19-13-6-12(18)15(21-13)14(20)8-1-2-8/h3-6,8,19H,1-2,7,18H2.
What are the key properties of [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 308.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103417616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).