1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one

C15H16F2N2OS — CID 103417629

IUPAC1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCc2cc(F)ccc2F)cc1N
InChIInChI=1S/C15H16F2N2OS/c1-8(2)14(20)15-12(18)6-13(21-15)19-7-9-5-10(16)3-4-11(9)17/h3-6,8,19H,7,18H2,1-2H3
InChIKeyHZLVMLYOLUTKRY-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.06
Rot. Bonds5

About 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103417629) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103417629
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCc2cc(F)ccc2F)cc1N
InChIInChI=1S/C15H16F2N2OS/c1-8(2)14(20)15-12(18)6-13(21-15)19-7-9-5-10(16)3-4-11(9)17/h3-6,8,19H,7,18H2,1-2H3
InChIKeyHZLVMLYOLUTKRY-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-Amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 1086388
4-Amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
CID 1841174
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
4-Amino-5-(cyclopropylcarbonyl)-2-(phenylamino)thiophene-3-carbonitrile
CID 911793
5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490362
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690
4-Amino-5-benzoyl-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647802
4-Amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 1830773
2-Amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
CID 2986143
3-Dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide
CID 11499932
4-Amino-2-(isopropylamino)-5-(4-methylbenzoyl)-3-thiophenecarbonitrile
CID 47001262
3-(3-Fluoro-4-methylanilino)-1-(2-thienyl)-1-propanone
CID 4161553

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one (CID 103417629) is 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1sc(NCc2cc(F)ccc2F)cc1N.
What is the InChIKey of 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is HZLVMLYOLUTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-8(2)14(20)15-12(18)6-13(21-15)19-7-9-5-10(16)3-4-11(9)17/h3-6,8,19H,7,18H2,1-2H3.
What are the key properties of 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 310.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103417629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).