2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

C10H6Cl2N2OS — CID 105088259

IUPAC2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cnsn1
InChIInChI=1S/C10H6Cl2N2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyYWFCQNQJZNWZIR-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 105088259) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID105088259
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cnsn1
InChIInChI=1S/C10H6Cl2N2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyYWFCQNQJZNWZIR-UHFFFAOYSA-N
XLogP3.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105135621
2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105129130
2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
CID 107356679
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033075
1-(1-benzyltriazol-4-yl)-2-(2,4-dichlorophenyl)ethanone
CID 56666169
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (CID 105088259) is 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cnsn1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is YWFCQNQJZNWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 273.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 105088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).