N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide

C21H16N2OS — CID 17100714

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16N2OS/c1-14-13-16(21-23-18-9-5-6-10-19(18)25-21)11-12-17(14)22-20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24)
InChIKeyHDFXXXZIGCJOLF-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.52
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 17100714) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
PubChem CID17100714
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16N2OS/c1-14-13-16(21-23-18-9-5-6-10-19(18)25-21)11-12-17(14)22-20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24)
InChIKeyHDFXXXZIGCJOLF-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
CID 2224805
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
CID 3116484
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chlorobenzamide
CID 3120632
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-ethoxybenzamide
CID 3934866
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17104261

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide (CID 17100714) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide is Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is HDFXXXZIGCJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-14-13-16(21-23-18-9-5-6-10-19(18)25-21)11-12-17(14)22-20(24)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,24).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 17100714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).