5-amino-2-(thiophen-3-ylmethylamino)benzamide

C12H13N3OS — CID 63244338

IUPAC5-amino-2-(thiophen-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NCc1ccsc1
InChIInChI=1S/C12H13N3OS/c13-9-1-2-11(10(5-9)12(14)16)15-6-8-3-4-17-7-8/h1-5,7,15H,6,13H2,(H2,14,16)
InChIKeyKQFIPQLEECJGNJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds4

About 5-amino-2-(thiophen-3-ylmethylamino)benzamide

5-amino-2-(thiophen-3-ylmethylamino)benzamide (PubChem CID 63244338) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-amino-2-(thiophen-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-(thiophen-3-ylmethylamino)benzamide
PubChem CID63244338
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-amino-2-(thiophen-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NCc1ccsc1
InChIInChI=1S/C12H13N3OS/c13-9-1-2-11(10(5-9)12(14)16)15-6-8-3-4-17-7-8/h1-5,7,15H,6,13H2,(H2,14,16)
InChIKeyKQFIPQLEECJGNJ-UHFFFAOYSA-N
XLogP2.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
5-amino-2-[(3-cyanophenyl)methylamino]benzamide
CID 62315337
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608
4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 82899421

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(thiophen-3-ylmethylamino)benzamide?
The IUPAC name of 5-amino-2-(thiophen-3-ylmethylamino)benzamide (CID 63244338) is 5-amino-2-(thiophen-3-ylmethylamino)benzamide.
What is the SMILES notation for 5-amino-2-(thiophen-3-ylmethylamino)benzamide?
The canonical SMILES for 5-amino-2-(thiophen-3-ylmethylamino)benzamide is NC(=O)c1cc(N)ccc1NCc1ccsc1.
What is the InChIKey of 5-amino-2-(thiophen-3-ylmethylamino)benzamide?
The InChIKey is KQFIPQLEECJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-9-1-2-11(10(5-9)12(14)16)15-6-8-3-4-17-7-8/h1-5,7,15H,6,13H2,(H2,14,16).
What are the key properties of 5-amino-2-(thiophen-3-ylmethylamino)benzamide?
5-amino-2-(thiophen-3-ylmethylamino)benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(thiophen-3-ylmethylamino)benzamide is sourced from PubChem (CID 63244338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).