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

C26H23N3O3S — CID 16561075

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(N(C(=O)CCn2c(=O)oc3ccccc32)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H23N3O3S/c1-17(2)18-11-13-19(14-12-18)29(25-27-20-7-3-6-10-23(20)33-25)24(30)15-16-28-21-8-4-5-9-22(21)32-26(28)31/h3-14,17H,15-16H2,1-2H3
InChIKeyRWCGPIAFLFPBLM-UHFFFAOYSA-N
MW457.56 g/mol
LogP6.08
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 16561075) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID16561075
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(N(C(=O)CCn2c(=O)oc3ccccc32)c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H23N3O3S/c1-17(2)18-11-13-19(14-12-18)29(25-27-20-7-3-6-10-23(20)33-25)24(30)15-16-28-21-8-4-5-9-22(21)32-26(28)31/h3-14,17H,15-16H2,1-2H3
InChIKeyRWCGPIAFLFPBLM-UHFFFAOYSA-N
XLogP6.08
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 36666425
N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18089616
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 86858105
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2461820
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N-(1,3-benzothiazol-2-yl)-6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 9108899
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
CID 9282371
N-(1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 24603324
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 16561075) is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(N(C(=O)CCn2c(=O)oc3ccccc32)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is RWCGPIAFLFPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-17(2)18-11-13-19(14-12-18)29(25-27-20-7-3-6-10-23(20)33-25)24(30)15-16-28-21-8-4-5-9-22(21)32-26(28)31/h3-14,17H,15-16H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 457.56 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 16561075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).