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

C16H13ClN2O2S — CID 9473411

IUPAC2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)COc3cccc(Cl)c3)cc2s1
InChIInChI=1S/C16H13ClN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyLKZLHIQQLWKTII-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.28
Rot. Bonds4

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

2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 9473411) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID9473411
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)COc3cccc(Cl)c3)cc2s1
InChIInChI=1S/C16H13ClN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyLKZLHIQQLWKTII-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 48671829
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19174332
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 9473411) is 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)COc3cccc(Cl)c3)cc2s1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is LKZLHIQQLWKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 332.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 9473411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).