N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide

C20H14N2OS — CID 790332

IUPACN-(1,3-benzothiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14N2OS/c23-19(22-20-21-17-8-4-5-9-18(17)24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22,23)
InChIKeyHZEFCPMPXSPQIF-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.22
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide

N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide (PubChem CID 790332) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-phenylbenzamide
PubChem CID790332
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14N2OS/c23-19(22-20-21-17-8-4-5-9-18(17)24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22,23)
InChIKeyHZEFCPMPXSPQIF-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide 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 N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide (CID 790332) is N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The InChIKey is HZEFCPMPXSPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-19(22-20-21-17-8-4-5-9-18(17)24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 790332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).