N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide

C19H20N2O2S — CID 16551618

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCCc1ccc2nc(NC(=O)CCc3ccccc3OC)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-3-13-8-10-15-17(12-13)24-19(20-15)21-18(22)11-9-14-6-4-5-7-16(14)23-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21,22)
InChIKeyPLGZWYSGFNMFNE-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.44
Rot. Bonds6

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 16551618) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID16551618
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCCc1ccc2nc(NC(=O)CCc3ccccc3OC)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-3-13-8-10-15-17(12-13)24-19(20-15)21-18(22)11-9-14-6-4-5-7-16(14)23-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21,22)
InChIKeyPLGZWYSGFNMFNE-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524229
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584
N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide (CID 16551618) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide is CCc1ccc2nc(NC(=O)CCc3ccccc3OC)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is PLGZWYSGFNMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-13-8-10-15-17(12-13)24-19(20-15)21-18(22)11-9-14-6-4-5-7-16(14)23-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 16551618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).