3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

C19H21N3O2S — CID 162660894

IUPAC3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-21(13-14-6-4-3-5-7-14)11-10-18(23)20-15-8-9-16-17(12-15)25-19(24)22(16)2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyRQIPACZSSLDZKC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.06
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (PubChem CID 162660894) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
PubChem CID162660894
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-21(13-14-6-4-3-5-7-14)11-10-18(23)20-15-8-9-16-17(12-15)25-19(24)22(16)2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyRQIPACZSSLDZKC-UHFFFAOYSA-N
XLogP3.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (CID 162660894) is 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is CN(CCC(=O)Nc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is RQIPACZSSLDZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21(13-14-6-4-3-5-7-14)11-10-18(23)20-15-8-9-16-17(12-15)25-19(24)22(16)2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 162660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).