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

C16H13N3OS — CID 46887333

IUPACN-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESNc1ccc(-c2nccs2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-13-7-6-12(16-18-8-9-21-16)10-14(13)19-15(20)11-4-2-1-3-5-11/h1-10H,17H2,(H,19,20)
InChIKeyFHTINQMYYLCTSM-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

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

N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 46887333) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID46887333
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESNc1ccc(-c2nccs2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-13-7-6-12(16-18-8-9-21-16)10-14(13)19-15(20)11-4-2-1-3-5-11/h1-10H,17H2,(H,19,20)
InChIKeyFHTINQMYYLCTSM-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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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide (CID 46887333) is N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide is Nc1ccc(-c2nccs2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is FHTINQMYYLCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-13-7-6-12(16-18-8-9-21-16)10-14(13)19-15(20)11-4-2-1-3-5-11/h1-10H,17H2,(H,19,20).
What are the key properties of N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide?
N-[2-amino-5-(1,3-thiazol-2-yl)phenyl]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-amino-5-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 46887333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).