N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

C16H16N2O2S — CID 86792241

IUPACN-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc3c(s2)C(=O)CCC3)cc1
InChIInChI=1S/C16H16N2O2S/c1-10-5-7-11(8-6-10)17-14(20)9-15-18-12-3-2-4-13(19)16(12)21-15/h5-8H,2-4,9H2,1H3,(H,17,20)
InChIKeyLBDZOUNHIICAMQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.15
Rot. Bonds3

About N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 86792241) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID86792241
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc3c(s2)C(=O)CCC3)cc1
InChIInChI=1S/C16H16N2O2S/c1-10-5-7-11(8-6-10)17-14(20)9-15-18-12-3-2-4-13(19)16(12)21-15/h5-8H,2-4,9H2,1H3,(H,17,20)
InChIKeyLBDZOUNHIICAMQ-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 82154723
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638
3-amino-N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1390366
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 4782900
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078251
N-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388631
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962858
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 86792241) is N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nc3c(s2)C(=O)CCC3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LBDZOUNHIICAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-5-7-11(8-6-10)17-14(20)9-15-18-12-3-2-4-13(19)16(12)21-15/h5-8H,2-4,9H2,1H3,(H,17,20).
What are the key properties of N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 86792241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).