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

C17H14ClN3O3S — CID 3157812

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1
InChIInChI=1S/C17H14ClN3O3S/c1-10(22)19-11-6-7-13-15(8-11)25-17(20-13)21-16(23)9-24-14-5-3-2-4-12(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyGTWZDDNPSFAVHS-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.93
Rot. Bonds5

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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide (PubChem CID 3157812) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide
PubChem CID3157812
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1
InChIInChI=1S/C17H14ClN3O3S/c1-10(22)19-11-6-7-13-15(8-11)25-17(20-13)21-16(23)9-24-14-5-3-2-4-12(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyGTWZDDNPSFAVHS-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide (CID 3157812) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide is CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is GTWZDDNPSFAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-10(22)19-11-6-7-13-15(8-11)25-17(20-13)21-16(23)9-24-14-5-3-2-4-12(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide has a molecular weight of 375.84 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 3157812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).