4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide

C16H15N3OS — CID 63183072

IUPAC4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19)
InChIKeyGNQQLUXBIXWRCD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.04
Rot. Bonds3

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

4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 63183072) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
PubChem CID63183072
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19)
InChIKeyGNQQLUXBIXWRCD-UHFFFAOYSA-N
XLogP3.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-phenyl-4,5-dihydro-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-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide (CID 63183072) is 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide is NC(=O)c1ccc(NC2=NC(c3ccccc3)CS2)cc1.
What is the InChIKey of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is GNQQLUXBIXWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-15(20)12-6-8-13(9-7-12)18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,20)(H,18,19).
What are the key properties of 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide?
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 63183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).