3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

C13H13N3OS — CID 39354555

IUPAC3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(N)c1)c1cccs1
InChIInChI=1S/C13H13N3OS/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-
InChIKeyUQRLUZAYPQOKOW-DHDCSXOGSA-N
MW259.33 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (PubChem CID 39354555) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
PubChem CID39354555
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(N)c1)c1cccs1
InChIInChI=1S/C13H13N3OS/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-
InChIKeyUQRLUZAYPQOKOW-DHDCSXOGSA-N
XLogP2.48
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide 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

3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
CID 3329054
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (CID 39354555) is 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(N)c1)c1cccs1.
What is the InChIKey of 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The InChIKey is UQRLUZAYPQOKOW-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-.
What are the key properties of 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide has a molecular weight of 259.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is sourced from PubChem (CID 39354555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).