N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

C16H12Cl2N2O2S — CID 7192820

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C16H12Cl2N2O2S/c17-11-6-7-12-15(14(11)18)20-16(23-12)19-13(21)8-9-22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20,21)
InChIKeySXJPBTCZUMUOQI-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.01
Rot. Bonds5

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (PubChem CID 7192820) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
PubChem CID7192820
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C16H12Cl2N2O2S/c17-11-6-7-12-15(14(11)18)20-16(23-12)19-13(21)8-9-22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20,21)
InChIKeySXJPBTCZUMUOQI-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 3417887
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43988757
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307879
4-butoxy-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40605559
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 40619545
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4038292
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (CID 7192820) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is SXJPBTCZUMUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-11-6-7-12-15(14(11)18)20-16(23-12)19-13(21)8-9-22-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20,21).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 367.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 7192820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).