N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide

C19H20N2OS — CID 146436189

IUPACN-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1-c1ccc2scnc2c1
InChIInChI=1S/C19H20N2OS/c1-12-14(13-8-9-17-16(10-13)20-11-23-17)6-5-7-15(12)21-18(22)19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyBTEDOOWPTRUNQG-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.26
Rot. Bonds2

About N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide

N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 146436189) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID146436189
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1-c1ccc2scnc2c1
InChIInChI=1S/C19H20N2OS/c1-12-14(13-8-9-17-16(10-13)20-11-23-17)6-5-7-15(12)21-18(22)19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyBTEDOOWPTRUNQG-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2-(1,3-benzothiazol-5-yl)-3,3-dimethylbutanoic acid
CID 18613621
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
1-[3-(1,3-benzothiazol-5-yl)-1-propan-2-ylpyrazol-4-yl]-3-[2-fluoro-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69294674
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
azane;5-methyl-1,3-benzothiazole
CID 174920703
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[3-(1,3-benzothiazol-5-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 135149171
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide (CID 146436189) is N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide is Cc1c(NC(=O)C(C)(C)C)cccc1-c1ccc2scnc2c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is BTEDOOWPTRUNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-14(13-8-9-17-16(10-13)20-11-23-17)6-5-7-15(12)21-18(22)19(2,3)4/h5-11H,1-4H3,(H,21,22).
What are the key properties of N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146436189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).