3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide

C11H12N4O2S — CID 106383250

IUPAC3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H12N4O2S/c12-8-3-1-2-7(10(13)16)9(8)14-4-6-5-18-11(17)15-6/h1-3,5,14H,4,12H2,(H2,13,16)(H,15,17)
InChIKeyMXEZKAOHOSPDTB-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.73
Rot. Bonds4

About 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide

3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide (PubChem CID 106383250) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
PubChem CID106383250
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H12N4O2S/c12-8-3-1-2-7(10(13)16)9(8)14-4-6-5-18-11(17)15-6/h1-3,5,14H,4,12H2,(H2,13,16)(H,15,17)
InChIKeyMXEZKAOHOSPDTB-UHFFFAOYSA-N
XLogP0.73
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]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

2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
CID 114195561
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
2-amino-4-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 114181768
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
4-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 114181500
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106379163
4-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181203
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 112578680

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The IUPAC name of 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide (CID 106383250) is 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide is NC(=O)c1cccc(N)c1NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The InChIKey is MXEZKAOHOSPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-8-3-1-2-7(10(13)16)9(8)14-4-6-5-18-11(17)15-6/h1-3,5,14H,4,12H2,(H2,13,16)(H,15,17).
What are the key properties of 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide has a molecular weight of 264.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 106383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).