4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide

C16H12ClN3OS — CID 46880290

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClN3OS/c17-12-5-1-10(2-6-12)14-9-22-16(20-14)19-13-7-3-11(4-8-13)15(18)21/h1-9H,(H2,18,21)(H,19,20)
InChIKeyYHMHQHRONZAHMG-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.31
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 46880290) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID46880290
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClN3OS/c17-12-5-1-10(2-6-12)14-9-22-16(20-14)19-13-7-3-11(4-8-13)15(18)21/h1-9H,(H2,18,21)(H,19,20)
InChIKeyYHMHQHRONZAHMG-UHFFFAOYSA-N
XLogP4.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-chlorophenyl)-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

Related Compounds

1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 3143378
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 126048114
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide (CID 46880290) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is YHMHQHRONZAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-12-5-1-10(2-6-12)14-9-22-16(20-14)19-13-7-3-11(4-8-13)15(18)21/h1-9H,(H2,18,21)(H,19,20).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 329.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 46880290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).