N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C16H11ClFN3OS — CID 976096

IUPACN-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15-20-21-16(23-15)19-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22)
InChIKeyBKPRMVXQPHFOEY-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.18
Rot. Bonds4

About N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 976096) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID976096
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC NameN-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15-20-21-16(23-15)19-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22)
InChIKeyBKPRMVXQPHFOEY-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7096008
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 754569
2-(4-fluorophenyl)-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 23931767
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(methylsulfamoyl)acetamide
CID 131963165
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 976096) is N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1.
What is the InChIKey of N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is BKPRMVXQPHFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-13-9-11(18)6-7-12(13)15-20-21-16(23-15)19-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21,22).
What are the key properties of N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 347.80 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 976096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).