N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C16H21N3O3S — CID 5310387

IUPACN-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20)
InChIKeyVHQSXJGNWFQFIS-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.90
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 5310387) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID5310387
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20)
InChIKeyVHQSXJGNWFQFIS-UHFFFAOYSA-N
XLogP0.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylthio)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3236632
N-[3-(acetylamino)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3241581
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309485
N-cyclohexyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767717
N-(sec-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 16193153
2-(2-Oxo-benzothiazol-3-yl)-N-phenyl-acetamide
CID 705122
ethyl 4-[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]piperazine-1-carboxylate
CID 3242467
N-[2-(1-cyclohexenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767720
N-benzyl-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
CID 767741
2-morpholin-4-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 2517027
N-{3-[butyl(methyl)amino]propyl}-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 3239520

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 5310387) is N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is VHQSXJGNWFQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-15(17-6-8-18-9-11-22-12-10-18)5-7-19-13-3-1-2-4-14(13)23-16(19)21/h1-4H,5-12H2,(H,17,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 5310387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).