2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H13ClN2O2S — CID 77106871

IUPAC2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-21-12-5-6-13-14(9-12)22-16(18-13)19-15(20)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyJPRHZWUJFZBNAC-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 77106871) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID77106871
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-21-12-5-6-13-14(9-12)22-16(18-13)19-15(20)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyJPRHZWUJFZBNAC-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 77106871) is 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JPRHZWUJFZBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-21-12-5-6-13-14(9-12)22-16(18-13)19-15(20)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)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 2-(3-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 77106871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).