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

C12H11Cl2N3O2S — CID 78767939

IUPAC2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-2-11-16-17-12(20-11)15-10(18)6-19-9-4-7(13)3-8(14)5-9/h3-5H,2,6H2,1H3,(H,15,17,18)
InChIKeyCDTQLJLMLVZOTQ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.42
Rot. Bonds5

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

2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 78767939) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID78767939
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-2-11-16-17-12(20-11)15-10(18)6-19-9-4-7(13)3-8(14)5-9/h3-5H,2,6H2,1H3,(H,15,17,18)
InChIKeyCDTQLJLMLVZOTQ-UHFFFAOYSA-N
XLogP3.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178155
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19175891
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26881258
2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1185936
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551051
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 960876
2-(3-chlorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2241620

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 78767939) is 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)COc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CDTQLJLMLVZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-2-11-16-17-12(20-11)15-10(18)6-19-9-4-7(13)3-8(14)5-9/h3-5H,2,6H2,1H3,(H,15,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 332.21 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 78767939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).