N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide

C17H15N3O2S — CID 954022

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H15N3O2S/c1-11(21)18-13-7-8-14-15(10-13)23-17(19-14)20-16(22)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPKHSSUSAKXHFPT-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.44
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 954022) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID954022
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H15N3O2S/c1-11(21)18-13-7-8-14-15(10-13)23-17(19-14)20-16(22)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPKHSSUSAKXHFPT-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 30515096
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55651820
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 30371053
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 954022) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide is CC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is PKHSSUSAKXHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11(21)18-13-7-8-14-15(10-13)23-17(19-14)20-16(22)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 954022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).