N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

C13H12Cl2N4O2S2 — CID 78765237

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1
InChIInChI=1S/C13H12Cl2N4O2S2/c1-19(11(21)6-22-13-18-16-7-23-13)5-10(20)17-12-8(14)3-2-4-9(12)15/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKeyAEHBQLKFQOBKOY-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.03
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (PubChem CID 78765237) has the molecular formula C13H12Cl2N4O2S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
PubChem CID78765237
Molecular FormulaC13H12Cl2N4O2S2
Molecular Weight391.31 g/mol
Exact Mass389.98
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1
InChIInChI=1S/C13H12Cl2N4O2S2/c1-19(11(21)6-22-13-18-16-7-23-13)5-10(20)17-12-8(14)3-2-4-9(12)15/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKeyAEHBQLKFQOBKOY-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 55821946
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9426700
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413965
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 27807243
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9089490
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 37351934
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (CID 78765237) is N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1nncs1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The InChIKey is AEHBQLKFQOBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2S2/c1-19(11(21)6-22-13-18-16-7-23-13)5-10(20)17-12-8(14)3-2-4-9(12)15/h2-4,7H,5-6H2,1H3,(H,17,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide has a molecular weight of 391.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 78765237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).