N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide

C16H12N2O2S — CID 22887490

IUPACN-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)15(20)16-18-13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19)
InChIKeyJIXYQMVELVSONL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide

N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide (PubChem CID 22887490) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
PubChem CID22887490
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)15(20)16-18-13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19)
InChIKeyJIXYQMVELVSONL-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzothiazole-2-carbonyl)phenyl] acetate
CID 22373846
4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoic acid
CID 4788989
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
CID 83393015
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide (CID 22887490) is N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide?
The InChIKey is JIXYQMVELVSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)15(20)16-18-13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide?
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide has a molecular weight of 296.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 22887490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).