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

C23H20N2O2S — CID 58470194

IUPACN-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-19-10-7-16(8-11-19)15-24-22(26)14-23-25-20-12-9-18(13-21(20)28-23)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyYXUTXPHRTYMYSF-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.83
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 58470194) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID58470194
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-19-10-7-16(8-11-19)15-24-22(26)14-23-25-20-12-9-18(13-21(20)28-23)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyYXUTXPHRTYMYSF-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 58470538
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470353
N-(3-methoxy-2-oxopropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470073
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58470275
4-[[[2-(5-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 58470399
N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470271
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 58470188
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
N-(4-oxobutyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88894975
3-[[[2-[6-(4-acetamidophenyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid
CID 58470436

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (CID 58470194) is N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YXUTXPHRTYMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-19-10-7-16(8-11-19)15-24-22(26)14-23-25-20-12-9-18(13-21(20)28-23)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 58470194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).