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

C19H20N2O2S — CID 16938430

IUPAC3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1cccc2sc(NC(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C19H20N2O2S/c1-13(2)15-9-6-10-16-18(15)21-19(24-16)20-17(22)11-12-23-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBHIZCZMYLACYMC-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.83
Rot. Bonds6

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

3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 16938430) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
PubChem CID16938430
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1cccc2sc(NC(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C19H20N2O2S/c1-13(2)15-9-6-10-16-18(15)21-19(24-16)20-17(22)11-12-23-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBHIZCZMYLACYMC-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
2-(4-ethoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938538
4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 16938521
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 121081506
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
3-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938501
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 16938430) is 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CC(C)c1cccc2sc(NC(=O)CCOc3ccccc3)nc12.
What is the InChIKey of 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is BHIZCZMYLACYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(2)15-9-6-10-16-18(15)21-19(24-16)20-17(22)11-12-23-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 16938430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).