N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide

C16H14N2OS — CID 18585528

IUPACN-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2scnc2c1
InChIInChI=1S/C16H14N2OS/c19-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)17-11-20-15/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyVYQFICXJBYWQBW-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.87
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide

N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide (PubChem CID 18585528) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
PubChem CID18585528
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2scnc2c1
InChIInChI=1S/C16H14N2OS/c19-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)17-11-20-15/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyVYQFICXJBYWQBW-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide
CID 131932444
3-(1,3-benzothiazol-5-yl)propanoic acid
CID 57294520
3-phenyl-N-pyrazolo[1,5-a]pyridin-5-ylpropanamide
CID 86266842
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide
CID 112525715
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide (CID 18585528) is N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide?
The InChIKey is VYQFICXJBYWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)17-11-20-15/h1-5,7-8,10-11H,6,9H2,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide?
N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide has a molecular weight of 282.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 18585528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).