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

C16H13ClN2OS — CID 53352108

IUPAC2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2OS/c1-10-5-6-13-14(7-10)21-16(18-13)19-15(20)9-11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeySADMGZAEISPPFX-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.44
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 53352108) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID53352108
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2OS/c1-10-5-6-13-14(7-10)21-16(18-13)19-15(20)9-11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeySADMGZAEISPPFX-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 53352108) is 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SADMGZAEISPPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-5-6-13-14(7-10)21-16(18-13)19-15(20)9-11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 316.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 53352108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).