N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide

C16H13N3OS — CID 10193406

IUPACN-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H13N3OS/c17-13-3-1-2-4-14(13)19-15(20)11-5-7-12(8-6-11)16-18-9-10-21-16/h1-10H,17H2,(H,19,20)
InChIKeyQMKZKPHUXAXYLU-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

About N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide

N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide (PubChem CID 10193406) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
PubChem CID10193406
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H13N3OS/c17-13-3-1-2-4-14(13)19-15(20)11-5-7-12(8-6-11)16-18-9-10-21-16/h1-10H,17H2,(H,19,20)
InChIKeyQMKZKPHUXAXYLU-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

n-(2-Aminophenyl)-4-{5-[(ethylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 11638904
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
N-(2-aminophenyl)-4-{5-[(propylamino)methyl]-1,3-thiazol-2-yl}benzamide
CID 25023855
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 2501115
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119148
N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 20786052
N-(2-aminophenyl)-4-((5-bromothiazol-2-ylamino)methyl)benzamide
CID 22478655
N-(2-aminophenyl)-4-((4-(thiazol-2-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570893
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506
N-benzyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]benzamide
CID 137639895
N-benzyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylamino]benzamide
CID 137659805

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide (CID 10193406) is N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide is Nc1ccccc1NC(=O)c1ccc(-c2nccs2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QMKZKPHUXAXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-13-3-1-2-4-14(13)19-15(20)11-5-7-12(8-6-11)16-18-9-10-21-16/h1-10H,17H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide?
N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10193406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).