N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide

C17H15N3O2S — CID 1160382

IUPACN-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3s2)c1
InChIInChI=1S/C17H15N3O2S/c1-10(21)18-13-5-3-4-12(8-13)17-20-15-7-6-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZIHZUWORCJECAS-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide

N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide (PubChem CID 1160382) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide
PubChem CID1160382
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3s2)c1
InChIInChI=1S/C17H15N3O2S/c1-10(21)18-13-5-3-4-12(8-13)17-20-15-7-6-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZIHZUWORCJECAS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide (CID 1160382) is N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide is CC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3s2)c1.
What is the InChIKey of N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is ZIHZUWORCJECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10(21)18-13-5-3-4-12(8-13)17-20-15-7-6-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide?
N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenyl)-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 1160382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).