2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C19H20N2O2S — CID 100560457

IUPAC2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1
InChIInChI=1S/C19H20N2O2S/c1-11(2)21-16-8-7-14(10-17(16)24-19(21)23)20-18(22)15-9-12(3)5-6-13(15)4/h5-11H,1-4H3,(H,20,22)
InChIKeyBQHMEMVKFKOKMI-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.51
Rot. Bonds3

About 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100560457) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID100560457
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1
InChIInChI=1S/C19H20N2O2S/c1-11(2)21-16-8-7-14(10-17(16)24-19(21)23)20-18(22)15-9-12(3)5-6-13(15)4/h5-11H,1-4H3,(H,20,22)
InChIKeyBQHMEMVKFKOKMI-UHFFFAOYSA-N
XLogP4.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
CID 100557188
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100550125
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100559378
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100553679
2-(3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 133244822
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100552121
1-(4-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiourea
CID 100561181
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553095
2-(4-chloro-3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244908
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 125075193

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100560457) is 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is BQHMEMVKFKOKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-11(2)21-16-8-7-14(10-17(16)24-19(21)23)20-18(22)15-9-12(3)5-6-13(15)4/h5-11H,1-4H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100560457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).