N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide

C13H13Cl2N3O2S — CID 14555397

IUPACN-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1nc(Cl)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)18(10-5-3-9(14)4-6-10)11(19)7-20-13-16-12(15)17-21-13/h3-6,8H,7H2,1-2H3
InChIKeyXOZXNOSCLNCBEI-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.67
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide

N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide (PubChem CID 14555397) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide
PubChem CID14555397
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC NameN-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1nc(Cl)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3O2S/c1-8(2)18(10-5-3-9(14)4-6-10)11(19)7-20-13-16-12(15)17-21-13/h3-6,8H,7H2,1-2H3
InChIKeyXOZXNOSCLNCBEI-UHFFFAOYSA-N
XLogP3.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide (CID 14555397) is N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1nc(Cl)ns1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide?
The InChIKey is XOZXNOSCLNCBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-8(2)18(10-5-3-9(14)4-6-10)11(19)7-20-13-16-12(15)17-21-13/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide?
N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide has a molecular weight of 346.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 14555397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).