N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

C18H18N2O4S — CID 2150728

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESCOc1ccc(OC)c2sc(NC(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C18H18N2O4S/c1-22-13-8-9-14(23-2)17-16(13)20-18(25-17)19-15(21)10-11-24-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyIFEYMYHSKONJRW-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.72
Rot. Bonds7

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (PubChem CID 2150728) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
PubChem CID2150728
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESCOc1ccc(OC)c2sc(NC(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C18H18N2O4S/c1-22-13-8-9-14(23-2)17-16(13)20-18(25-17)19-15(21)10-11-24-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyIFEYMYHSKONJRW-UHFFFAOYSA-N
XLogP3.72
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254756
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192918
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325364
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18582193

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (CID 2150728) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is COc1ccc(OC)c2sc(NC(=O)CCOc3ccccc3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is IFEYMYHSKONJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-22-13-8-9-14(23-2)17-16(13)20-18(25-17)19-15(21)10-11-24-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 358.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 2150728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).