2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

C11H7ClFN5OS — CID 2471351

IUPAC2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nn2cnnc2s1
InChIInChI=1S/C11H7ClFN5OS/c12-7-2-1-3-8(13)6(7)4-9(19)15-10-17-18-5-14-16-11(18)20-10/h1-3,5H,4H2,(H,15,17,19)
InChIKeyUFLWAROVVPRXDQ-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (PubChem CID 2471351) has the molecular formula C11H7ClFN5OS and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
PubChem CID2471351
Molecular FormulaC11H7ClFN5OS
Molecular Weight311.73 g/mol
Exact Mass311.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nn2cnnc2s1
InChIInChI=1S/C11H7ClFN5OS/c12-7-2-1-3-8(13)6(7)4-9(19)15-10-17-18-5-14-16-11(18)20-10/h1-3,5H,4H2,(H,15,17,19)
InChIKeyUFLWAROVVPRXDQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
CID 2780091
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782502

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (CID 2471351) is 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1nn2cnnc2s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The InChIKey is UFLWAROVVPRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5OS/c12-7-2-1-3-8(13)6(7)4-9(19)15-10-17-18-5-14-16-11(18)20-10/h1-3,5H,4H2,(H,15,17,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide has a molecular weight of 311.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is sourced from PubChem (CID 2471351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).