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

C13H11Cl2N3O2S — CID 842071

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H11Cl2N3O2S/c14-8-3-4-9(15)10(5-8)20-6-11(19)16-13-18-17-12(21-13)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,18,19)
InChIKeyGOAPGCGAWAMMBQ-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.74
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 842071) has the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
PubChem CID842071
Molecular FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
Exact Mass342.99
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H11Cl2N3O2S/c14-8-3-4-9(15)10(5-8)20-6-11(19)16-13-18-17-12(21-13)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,18,19)
InChIKeyGOAPGCGAWAMMBQ-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide (CID 842071) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is GOAPGCGAWAMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2S/c14-8-3-4-9(15)10(5-8)20-6-11(19)16-13-18-17-12(21-13)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,18,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 344.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 842071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).