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

C12H12ClN3O2S — CID 2872033

IUPACN-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17)
InChIKeyDYTSPVAOPMELKW-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.34
Rot. Bonds1

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

N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 2872033) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID2872033
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17)
InChIKeyDYTSPVAOPMELKW-UHFFFAOYSA-N
XLogP2.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobenzyl)-2-[(6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 2368008
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
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-[4-Acetyl-5-(4-isopropyl-phenyl)-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-acetamide
CID 3130971
N-(4-chlorobenzyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetamide
CID 135415396
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-chlorobenzyl)acetamide
CID 7196670

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 2872033) is N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccc(Cl)cc2)S1.
What is the InChIKey of N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is DYTSPVAOPMELKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17).
What are the key properties of N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 297.77 g/mol, XLogP of 2.34, 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-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 2872033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).