3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C18H17N3O2S — CID 46484893

IUPAC3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1C
InChIInChI=1S/C18H17N3O2S/c1-10-4-7-14-16(8-10)24-18(20-14)21-17(23)13-6-5-11(2)15(9-13)19-12(3)22/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyZLVYICSNDYOPDH-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.12
Rot. Bonds3

About 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 46484893) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID46484893
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1C
InChIInChI=1S/C18H17N3O2S/c1-10-4-7-14-16(8-10)24-18(20-14)21-17(23)13-6-5-11(2)15(9-13)19-12(3)22/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyZLVYICSNDYOPDH-UHFFFAOYSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 46484893) is 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is CC(=O)Nc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZLVYICSNDYOPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-4-7-14-16(8-10)24-18(20-14)21-17(23)13-6-5-11(2)15(9-13)19-12(3)22/h4-9H,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 46484893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).