N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C12H11Cl2N3O2S — CID 3124120

IUPACN-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2c(Cl)cccc2Cl)S1
InChIInChI=1S/C12H11Cl2N3O2S/c1-6(18)15-12-16-17(7(2)19)11(20-12)10-8(13)4-3-5-9(10)14/h3-5,11H,1-2H3,(H,15,16,18)
InChIKeyKTTCBYOCVXQWIE-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.99
Rot. Bonds1

About N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 3124120) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID3124120
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2c(Cl)cccc2Cl)S1
InChIInChI=1S/C12H11Cl2N3O2S/c1-6(18)15-12-16-17(7(2)19)11(20-12)10-8(13)4-3-5-9(10)14/h3-5,11H,1-2H3,(H,15,16,18)
InChIKeyKTTCBYOCVXQWIE-UHFFFAOYSA-N
XLogP2.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
N-[4-acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2881296
N-[(2-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2079661
N-[(2-chlorophenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2081579
N-[(4-chlorophenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2567791
N-[4-acetyl-5-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2872297
ST093069
CID 2729933
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576450
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-chlorobenzyl)acetamide
CID 7196670
N-(2-chlorobenzyl)-2-((6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135472822
1-[5-amino-2-(3,4-dichlorophenyl)-2H-1,3,4-thiadiazol-3-yl]ethanone
CID 330149
2-(2-chlorophenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1,3-thiazolidin-4-one
CID 3578975

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 3124120) is N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2c(Cl)cccc2Cl)S1.
What is the InChIKey of N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is KTTCBYOCVXQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-6(18)15-12-16-17(7(2)19)11(20-12)10-8(13)4-3-5-9(10)14/h3-5,11H,1-2H3,(H,15,16,18).
What are the key properties of N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 332.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 3124120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).