N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide

C20H14N2OS — CID 130248048

IUPACN-(2-phenyl-1,3-benzothiazol-5-yl)benzamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-19(14-7-3-1-4-8-14)21-16-11-12-18-17(13-16)22-20(24-18)15-9-5-2-6-10-15/h1-13H,(H,21,23)
InChIKeyRMOCKHAXMAZOLG-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.22
Rot. Bonds3

About N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide

N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 130248048) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID130248048
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC NameN-(2-phenyl-1,3-benzothiazol-5-yl)benzamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-19(14-7-3-1-4-8-14)21-16-11-12-18-17(13-16)22-20(24-18)15-9-5-2-6-10-15/h1-13H,(H,21,23)
InChIKeyRMOCKHAXMAZOLG-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

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Related Compounds

N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
CID 596204
N-Benzothiazol-2-yl-benzamide
CID 689669
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
SB-782443
CID 9951636
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
2-Benzoylbenzothiazole
CID 318178
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
5-Ethyl-6-methyl-3-((2-benzothiazolyl)ethyl)-2-pyridinone
CID 453438
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419
4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide
CID 137628311

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide (CID 130248048) is N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide is O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccccc1.
What is the InChIKey of N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is RMOCKHAXMAZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-19(14-7-3-1-4-8-14)21-16-11-12-18-17(13-16)22-20(24-18)15-9-5-2-6-10-15/h1-13H,(H,21,23).
What are the key properties of N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide?
N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide 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-(2-phenyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 130248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).