1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C10H7ClN2OS2 — CID 43413965

IUPAC1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccccc1Cl
InChIInChI=1S/C10H7ClN2OS2/c11-8-4-2-1-3-7(8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2
InChIKeySAEMMCSWIPPVAH-UHFFFAOYSA-N
MW270.77 g/mol
LogP3.17
Rot. Bonds4

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

1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 43413965) has the molecular formula C10H7ClN2OS2 and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID43413965
Molecular FormulaC10H7ClN2OS2
Molecular Weight270.77 g/mol
Exact Mass269.97
IUPAC Name1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccccc1Cl
InChIInChI=1S/C10H7ClN2OS2/c11-8-4-2-1-3-7(8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2
InChIKeySAEMMCSWIPPVAH-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 35966048
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 17444032
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
1-(3,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413969
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41487995
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 55821946
1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 40623176
1-phenyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-one
CID 43413986

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 43413965) is 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is SAEMMCSWIPPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS2/c11-8-4-2-1-3-7(8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 270.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 43413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).