1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one

C11H9ClN2OS2 — CID 43413967

IUPAC1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nncs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2OS2/c1-7(17-11-14-13-6-16-11)10(15)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyCGOFNAHIHBPLGO-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one

1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one (PubChem CID 43413967) has the molecular formula C11H9ClN2OS2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
PubChem CID43413967
Molecular FormulaC11H9ClN2OS2
Molecular Weight284.79 g/mol
Exact Mass283.98
IUPAC Name1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nncs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2OS2/c1-7(17-11-14-13-6-16-11)10(15)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyCGOFNAHIHBPLGO-UHFFFAOYSA-N
XLogP3.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one 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

1-(4-Chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 686457
1-(4-Chlorophenyl)-2-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4252046
1-(3,4-Dichlorophenyl)-2-[[5-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4671712
1-(3,4-Dichlorophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone
CID 852249
N'-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
CID 6035573
1-(4-Ethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 16279968
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-1-(3-chlorophenyl)ethanone
CID 24321452
Benzoylmethylthio-1,3,4-thiadiazole
CID 43413998
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 723661
2-({5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
CID 1981073
1-(4-Fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethan-1-one
CID 28819015
1-(2,4-Difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43220237

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one (CID 43413967) is 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one is CC(Sc1nncs1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?
The InChIKey is CGOFNAHIHBPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS2/c1-7(17-11-14-13-6-16-11)10(15)8-3-2-4-9(12)5-8/h2-7H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?
1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one has a molecular weight of 284.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 43413967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).