N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

C18H13N3O3S — CID 11013568

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C18H13N3O3S/c22-16(11-23-13-7-2-1-3-8-13)19-18-21-20-17(25-18)15-10-12-6-4-5-9-14(12)24-15/h1-10H,11H2,(H,19,21,22)
InChIKeyFBLNROPLWTYOML-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.97
Rot. Bonds5

About N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 11013568) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
PubChem CID11013568
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C18H13N3O3S/c22-16(11-23-13-7-2-1-3-8-13)19-18-21-20-17(25-18)15-10-12-6-4-5-9-14(12)24-15/h1-10H,11H2,(H,19,21,22)
InChIKeyFBLNROPLWTYOML-UHFFFAOYSA-N
XLogP3.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 754569
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114734476
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 99834661
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734394
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (CID 11013568) is N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)s1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is FBLNROPLWTYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-16(11-23-13-7-2-1-3-8-13)19-18-21-20-17(25-18)15-10-12-6-4-5-9-14(12)24-15/h1-10H,11H2,(H,19,21,22).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 351.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 11013568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).