N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C16H14N2O2S — CID 706207

IUPACN-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-18-13-8-4-5-9-14(13)21-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyQCIZVEVRDJBWFW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.01
Rot. Bonds3

About N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 706207) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID706207
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-18-13-8-4-5-9-14(13)21-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyQCIZVEVRDJBWFW-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-2(3H)-benzothiazolone
CID 853901
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-acetamide
CID 10136455
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-acetamide
CID 10178824
6-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-3H-benzothiazol-2-one
CID 10759541
(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
CID 16067734
3-Benzyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 2259985
3H-spiro[1,3-benzothiazole-2,3'-indol]-2'(1'H)-one
CID 332978
2-[(3-Benzyl-2,4-dioxo-thiazolidin-5-yl)-phenyl-amino]-acetamide
CID 653164
N~2~-benzyl-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide
CID 2202721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 706207) is N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is QCIZVEVRDJBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-18-13-8-4-5-9-14(13)21-16(18)20/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 706207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).