N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide

C22H18N2O2S — CID 1133003

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2O2S/c1-15-7-12-19-20(13-15)27-22(24-19)16-8-10-17(11-9-16)23-21(25)14-26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyFUEVBLZZYSVNAP-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.29
Rot. Bonds5

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 1133003) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID1133003
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2O2S/c1-15-7-12-19-20(13-15)27-22(24-19)16-8-10-17(11-9-16)23-21(25)14-26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyFUEVBLZZYSVNAP-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
N-{1-[4-(Benzothiazol-2-yloxy)-benzyl]-piperidin-4-yl}-2-hydroxy-acetamide
CID 11200344
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidine-4-carboxamide
CID 24901584
[(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)carbamoyl]methyl acetate
CID 24901589
[(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)carbamoyl]methyl acetate
CID 24901592
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 4663110
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
CID 934737
N-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanamide
CID 851643
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
2-[4-(1,3-Benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 2350207
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 45103532

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide (CID 1133003) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide is Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is FUEVBLZZYSVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-7-12-19-20(13-15)27-22(24-19)16-8-10-17(11-9-16)23-21(25)14-26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 374.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1133003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).