N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide

C17H16N2OS — CID 57299473

IUPACN-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS/c1-12(11-13-7-3-2-4-8-13)16(20)19-17-18-14-9-5-6-10-15(14)21-17/h2-10,12H,11H2,1H3,(H,18,19,20)
InChIKeyCUPLKJLAZGCXEX-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.11
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide

N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide (PubChem CID 57299473) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
PubChem CID57299473
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS/c1-12(11-13-7-3-2-4-8-13)16(20)19-17-18-14-9-5-6-10-15(14)21-17/h2-10,12H,11H2,1H3,(H,18,19,20)
InChIKeyCUPLKJLAZGCXEX-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,3-benzothiazol-2-ylamino)-3-phenylpropanoic acid;hydrochloride
CID 86747677
(2S)-N-(1,3-benzothiazol-2-yl)-2-phenylsulfanylpropanamide
CID 8882295
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
(2S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylbutanamide;hydrochloride
CID 119262464
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605443
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 5211016
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide (CID 57299473) is N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide?
The InChIKey is CUPLKJLAZGCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12(11-13-7-3-2-4-8-13)16(20)19-17-18-14-9-5-6-10-15(14)21-17/h2-10,12H,11H2,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide?
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide has a molecular weight of 296.40 g/mol, XLogP of 4.11, 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-2-yl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 57299473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).