N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

C16H13ClN2O2S — CID 7719944

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyAWDNHSXDWVCJCP-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.14
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 7719944) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID7719944
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyAWDNHSXDWVCJCP-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 7719944) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is AWDNHSXDWVCJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 332.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).