N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen

C18H19FN4OS — CID 142835765

IUPACN-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen
SMILES[H]/N=C(\c1cccc(F)c1)c1nc(NC(=O)Cc2cccs2)ccc1N.[H][H].[H][H]
InChIInChI=1S/C18H15FN4OS.2H2/c19-12-4-1-3-11(9-12)17(21)18-14(20)6-7-15(23-18)22-16(24)10-13-5-2-8-25-13;;/h1-9,21H,10,20H2,(H,22,23,24);2*1H/b21-17+;;
InChIKeyGLJJFJLIOWYOMX-PJPLBZAPSA-N
MW358.44 g/mol
LogP3.95
Rot. Bonds5

About N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen

N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen (PubChem CID 142835765) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen
PubChem CID142835765
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen
SMILES[H]/N=C(\c1cccc(F)c1)c1nc(NC(=O)Cc2cccs2)ccc1N.[H][H].[H][H]
InChIInChI=1S/C18H15FN4OS.2H2/c19-12-4-1-3-11(9-12)17(21)18-14(20)6-7-15(23-18)22-16(24)10-13-5-2-8-25-13;;/h1-9,21H,10,20H2,(H,22,23,24);2*1H/b21-17+;;
InChIKeyGLJJFJLIOWYOMX-PJPLBZAPSA-N
XLogP3.95
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen 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

N-[4-amino-2-methyl-5-(3-nitrobenzenecarboximidoyl)phenyl]-2-thiophen-2-ylacetamide
CID 89362712
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
N-[4-amino-5-(1-benzothiophene-2-carboximidoyl)-2-fluorophenyl]-2-thiophen-2-ylacetamide
CID 142179012
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 60812906
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
CID 116813427
N-[4-amino-2-fluoro-5-[(E)-3-(4-fluoro-3-methoxyphenyl)prop-2-enimidoyl]phenyl]-2-thiophen-2-ylacetamide
CID 142836534
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63115689

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen?
The IUPAC name of N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen (CID 142835765) is N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen.
What is the SMILES notation for N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen?
The canonical SMILES for N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen is [H]/N=C(\c1cccc(F)c1)c1nc(NC(=O)Cc2cccs2)ccc1N.[H][H].[H][H].
What is the InChIKey of N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen?
The InChIKey is GLJJFJLIOWYOMX-PJPLBZAPSA-N. The full InChI is InChI=1S/C18H15FN4OS.2H2/c19-12-4-1-3-11(9-12)17(21)18-14(20)6-7-15(23-18)22-16(24)10-13-5-2-8-25-13;;/h1-9,21H,10,20H2,(H,22,23,24);2*1H/b21-17+;;.
What are the key properties of N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen?
N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen has a molecular weight of 358.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen is sourced from PubChem (CID 142835765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).