N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

C22H18N2O2S — CID 7948419

IUPACN-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C22H18N2O2S/c25-21(14-11-16-7-3-1-4-8-16)24-22-23-19-13-12-18(15-20(19)27-22)26-17-9-5-2-6-10-17/h1-10,12-13,15H,11,14H2,(H,23,24,25)
InChIKeyQZYQSGZCUXKEPU-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.66
Rot. Bonds6

About N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 7948419) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID7948419
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C22H18N2O2S/c25-21(14-11-16-7-3-1-4-8-16)24-22-23-19-13-12-18(15-20(19)27-22)26-17-9-5-2-6-10-17/h1-10,12-13,15H,11,14H2,(H,23,24,25)
InChIKeyQZYQSGZCUXKEPU-UHFFFAOYSA-N
XLogP5.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 694783
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
3-(oxolan-2-ylmethoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 55719245
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945

Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 7948419) is N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is QZYQSGZCUXKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21(14-11-16-7-3-1-4-8-16)24-22-23-19-13-12-18(15-20(19)27-22)26-17-9-5-2-6-10-17/h1-10,12-13,15H,11,14H2,(H,23,24,25).
What are the key properties of N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 374.47 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 7948419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).