N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H18N4O3S2 — CID 55545889

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N4O3S2/c1-25-10-9-23(19-20-14-4-2-3-5-15(14)28-19)17(24)7-6-16-21-22-18(26-16)13-8-11-27-12-13/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeySXKWFFQDOUACLM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.02
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55545889) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55545889
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOCCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C19H18N4O3S2/c1-25-10-9-23(19-20-14-4-2-3-5-15(14)28-19)17(24)7-6-16-21-22-18(26-16)13-8-11-27-12-13/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeySXKWFFQDOUACLM-UHFFFAOYSA-N
XLogP4.02
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536976
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 55580882
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
CID 119228121
methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 38035072
N-(1,3-benzothiazol-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 55580881
N-(2-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 112795876
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 34261879
N-(1,3-benzothiazol-2-yl)-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methoxyethyl)acetamide
CID 55546116
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55550163
N-[2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55871506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55545889) is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is COCCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is SXKWFFQDOUACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-25-10-9-23(19-20-14-4-2-3-5-15(14)28-19)17(24)7-6-16-21-22-18(26-16)13-8-11-27-12-13/h2-5,8,11-12H,6-7,9-10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55545889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).