2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C12H11Cl2N3O2S — CID 2886229

IUPAC2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-6(11(18)15-12-17-16-7(2)20-12)19-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,17,18)
InChIKeySCGFPNJZFDXMSR-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2886229) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2886229
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-6(11(18)15-12-17-16-7(2)20-12)19-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,17,18)
InChIKeySCGFPNJZFDXMSR-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.56
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]-2,2-dimethylpropanamide
CID 945206
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
Ethyl ({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}amino)(oxo)acetate
CID 2163065
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
2-(2,4-dichlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)propanamide
CID 2953553
2-(4-bromo-2-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2971352
2-(4-chlorophenoxy)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 903168
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 842071

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 2886229) is 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SCGFPNJZFDXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-6(11(18)15-12-17-16-7(2)20-12)19-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 332.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2886229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).