N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide

C20H16N2OS — CID 3318017

IUPACN-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c(C)c1
InChIInChI=1S/C20H16N2OS/c1-12-7-9-15(13(2)11-12)19(23)22-20-21-17-10-8-14-5-3-4-6-16(14)18(17)24-20/h3-11H,1-2H3,(H,21,22,23)
InChIKeyRFDWULOSYVRYGW-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.32
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide

N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide (PubChem CID 3318017) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide
PubChem CID3318017
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c(C)c1
InChIInChI=1S/C20H16N2OS/c1-12-7-9-15(13(2)11-12)19(23)22-20-21-17-10-8-14-5-3-4-6-16(14)18(17)24-20/h3-11H,1-2H3,(H,21,22,23)
InChIKeyRFDWULOSYVRYGW-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide (CID 3318017) is N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c(C)c1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide?
The InChIKey is RFDWULOSYVRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-7-9-15(13(2)11-12)19(23)22-20-21-17-10-8-14-5-3-4-6-16(14)18(17)24-20/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide?
N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-2,4-dimethylbenzamide is sourced from PubChem (CID 3318017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).