N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

C12H13N3O2S — CID 811250

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C12H13N3O2S/c1-2-11-14-15-12(18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyVJDKYKBXFXJKQC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.12
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (PubChem CID 811250) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
PubChem CID811250
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C12H13N3O2S/c1-2-11-14-15-12(18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyVJDKYKBXFXJKQC-UHFFFAOYSA-N
XLogP2.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4385887
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
Ethyl ({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}amino)(oxo)acetate
CID 2163065

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (CID 811250) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is CCc1nnc(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is VJDKYKBXFXJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-11-14-15-12(18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 263.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 811250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).