3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide

C19H20N2OS — CID 24641041

IUPAC3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H20N2OS/c1-13(2)14-7-9-15(10-8-14)20-18(22)11-12-19-21-16-5-3-4-6-17(16)23-19/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyITTVRETUBMGVKR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.99
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 24641041) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID24641041
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H20N2OS/c1-13(2)14-7-9-15(10-8-14)20-18(22)11-12-19-21-16-5-3-4-6-17(16)23-19/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyITTVRETUBMGVKR-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
3-(1,3-benzothiazol-2-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
CID 46432000
methyl 2-[[2-[4-[3-(1,3-benzothiazol-2-yl)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781761
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid
CID 43360732
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9047383
(2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 79009269
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 24641041) is 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ITTVRETUBMGVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13(2)14-7-9-15(10-8-14)20-18(22)11-12-19-21-16-5-3-4-6-17(16)23-19/h3-10,13H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24641041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).