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

C11H9Cl2N3O2S — CID 19905026

IUPACN-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide
SMILESCN(C(=O)COc1nnc(Cl)s1)c1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-16(8-4-2-3-7(12)5-8)9(17)6-18-11-15-14-10(13)19-11/h2-5H,6H2,1H3
InChIKeyZZRZSGKAEDBYRH-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide (PubChem CID 19905026) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide
PubChem CID19905026
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC NameN-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide
SMILESCN(C(=O)COc1nnc(Cl)s1)c1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-16(8-4-2-3-7(12)5-8)9(17)6-18-11-15-14-10(13)19-11/h2-5H,6H2,1H3
InChIKeyZZRZSGKAEDBYRH-UHFFFAOYSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide (CID 19905026) is N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide is CN(C(=O)COc1nnc(Cl)s1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide?
The InChIKey is ZZRZSGKAEDBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-16(8-4-2-3-7(12)5-8)9(17)6-18-11-15-14-10(13)19-11/h2-5H,6H2,1H3.
What are the key properties of N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide?
N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide has a molecular weight of 318.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide is sourced from PubChem (CID 19905026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).