N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide

C17H15N3O2S — CID 46328641

IUPACN-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1
InChIInChI=1S/C17H15N3O2S/c1-10-5-3-4-6-13(10)16(22)19-12-7-8-15-14(9-12)20-17(23-15)18-11(2)21/h3-9H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyNWTZBLZDOPQZHF-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.82
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide

N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide (PubChem CID 46328641) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
PubChem CID46328641
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1
InChIInChI=1S/C17H15N3O2S/c1-10-5-3-4-6-13(10)16(22)19-12-7-8-15-14(9-12)20-17(23-15)18-11(2)21/h3-9H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyNWTZBLZDOPQZHF-UHFFFAOYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-Benzothiazol-2-yl-benzamide
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Benzamide, N-2-benzothiazolyl-4-fluoro-
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N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
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N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 785885
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-benzothiazol-2-yl)-3-(trichloromethyl)benzamide
CID 1037067

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide (CID 46328641) is N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide is CC(=O)Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide?
The InChIKey is NWTZBLZDOPQZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-5-3-4-6-13(10)16(22)19-12-7-8-15-14(9-12)20-17(23-15)18-11(2)21/h3-9H,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide?
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide has a molecular weight of 325.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 46328641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).