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

C22H18N2OS — CID 1372469

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKICXYCUTJIGALW-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.45
Rot. Bonds4

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

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 1372469) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
PubChem CID1372469
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKICXYCUTJIGALW-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzothiazole
CID 234475
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
N-2-Benzothiazolylbenzeneacetamide
CID 591403
4-Methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2899851
2-(4'-Methylaminophenyl)benzothiazole
CID 9837643
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
(1R,2R)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 10269099
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 10422457
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide (CID 1372469) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is KICXYCUTJIGALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 358.47 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1372469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).