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

C16H15N3OS — CID 24699724

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-12(11-6-2-1-3-7-11)10-15(20)19-16-18-13-8-4-5-9-14(13)21-16/h1-9,12H,10,17H2,(H,18,19,20)
InChIKeyJKWYXSBGMINEIC-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.32
Rot. Bonds4

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

3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 24699724) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID24699724
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-12(11-6-2-1-3-7-11)10-15(20)19-16-18-13-8-4-5-9-14(13)21-16/h1-9,12H,10,17H2,(H,18,19,20)
InChIKeyJKWYXSBGMINEIC-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8881883
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
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3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119954224
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 24699724) is 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide is NC(CC(=O)Nc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is JKWYXSBGMINEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-12(11-6-2-1-3-7-11)10-15(20)19-16-18-13-8-4-5-9-14(13)21-16/h1-9,12H,10,17H2,(H,18,19,20).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 24699724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).