4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide

C13H16N4OS — CID 82785480

IUPAC4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
SMILESCCc1nc(Nc2cc(C(N)=O)ccc2N)sc1C
InChIInChI=1S/C13H16N4OS/c1-3-10-7(2)19-13(16-10)17-11-6-8(12(15)18)4-5-9(11)14/h4-6H,3,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIVVOZYBBVKBOSC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.44
Rot. Bonds4

About 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide

4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 82785480) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID82785480
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
SMILESCCc1nc(Nc2cc(C(N)=O)ccc2N)sc1C
InChIInChI=1S/C13H16N4OS/c1-3-10-7(2)19-13(16-10)17-11-6-8(12(15)18)4-5-9(11)14/h4-6H,3,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIVVOZYBBVKBOSC-UHFFFAOYSA-N
XLogP2.44
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide (CID 82785480) is 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide is CCc1nc(Nc2cc(C(N)=O)ccc2N)sc1C.
What is the InChIKey of 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is IVVOZYBBVKBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-10-7(2)19-13(16-10)17-11-6-8(12(15)18)4-5-9(11)14/h4-6H,3,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 82785480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).